{ "meta": { "disclaimer": "Do not rely on openFDA to make decisions regarding medical care. While we make every effort to ensure that data is accurate, you should assume all results are unvalidated. We may limit or otherwise restrict your access to the API in line with our Terms of Service.", "terms": "https://open.fda.gov/terms/", "license": "https://open.fda.gov/license/", "last_updated": "2026-09-09", "results": { "skip": 0, "limit": 1, "total": 1 } }, "results": [ { "codes": [ { "uuid": "d898b9e3-c82d-45b2-a74f-196dee2c61b0", "code": "74913-18-1", "type": "NO STRUCTURE GIVEN", "url": "https://commonchemistry.cas.org/detail?cas_rn=74913-18-1", "code_system": "CAS", "references": [ "be3f1476-d73b-4579-a429-5322064b7a8b", "23988b50-9a3d-4cac-bb78-1b3a2889ac3a" ] }, { "uuid": "c795abcd-561c-4e12-9200-ac715bab47dd", "code": "16133805", "type": "PRIMARY", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/16133805", "code_system": "PUBCHEM", "references": [ "be3f1476-d73b-4579-a429-5322064b7a8b" ] }, { "uuid": "27157424-18fa-4924-8a08-6eb196dd445d", "code": "80448-90-4", "type": "PRIMARY", "url": "https://commonchemistry.cas.org/detail?cas_rn=80448-90-4", "code_system": "CAS", "references": [ "733cc7ac-bb52-d30a-5982-f778aa9ccb72" ] }, { "uuid": "c08df821-b1ea-4b45-af8d-d2ae64a5bb50", "code": "m4795", "type": "PRIMARY", "url": "https://merckindex.rsc.org/monographs/m4795", "code_system": "MERCK INDEX", "references": [ "8a0fb37b-dde2-0e67-e371-a2fe5d338446" ] }, { "uuid": "31630cbd-cd8a-424d-b9f9-c2af95ca959b", "code": "9M18T0TD14", "type": "PRIMARY", "code_system": "FDA UNII" } ], "relationships": [ { "uuid": "f9f774ac-a6a3-483d-97ad-7ad4063494fd", "type": "SUBSTANCE->SUB_ALTERNATE", "related_substance": { "uuid": "f0cf754a-fd56-4169-86ac-dd75f2ae6a77", "refuuid": "0fefbd1a-f6a9-41d6-9085-fffeb52136bf", "name": "ALTERNATIVE DEFINITION for [DYNORPHIN A]", "linking_id": "0fefbd1a-f6a9-41d6-9085-fffeb52136bf", "ref_pname": "NO NAME" } } ], "substance_class": "chemical", "names": [ { "uuid": "f0a8ab5e-41a3-59bb-9cb0-f80e5c18d889", "name": "DYN-A17", "stdName": "DYN-A17", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "733cc7ac-bb52-d30a-5982-f778aa9ccb72" ], "display_name": false }, { "uuid": "9c807489-d725-eb34-546d-c01bc6daacd4", "name": "DYNORPHIN A", "stdName": "DYNORPHIN A", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "733cc7ac-bb52-d30a-5982-f778aa9ccb72" ], "display_name": true }, { "uuid": "ed23a460-c424-e205-3dc4-8526933bd075", "name": "DYNORPHIN A (1-17)", "stdName": "DYNORPHIN A (1-17)", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "733cc7ac-bb52-d30a-5982-f778aa9ccb72" ], "display_name": false }, { "uuid": "1f5723d2-64b5-a34b-5633-d9d331c17b64", "name": "DYNORPHIN A (BOS TAURUS)", "stdName": "DYNORPHIN A (BOS TAURUS)", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "733cc7ac-bb52-d30a-5982-f778aa9ccb72" ], "display_name": false }, { "uuid": "e519b483-5ec7-3458-9806-998c759566d2", "name": "DYNORPHIN A (HUMAN)", "stdName": "DYNORPHIN A (HUMAN)", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "733cc7ac-bb52-d30a-5982-f778aa9ccb72" ], "display_name": false }, { "uuid": "af856404-708d-5922-098f-19989209ab3f", "name": "DYNORPHIN A (PIG)", "stdName": "DYNORPHIN A (PIG)", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "733cc7ac-bb52-d30a-5982-f778aa9ccb72" ], "display_name": false }, { "uuid": "dca5f934-a4cf-136e-900c-0667230dcfd3", "name": "DYNORPHIN A (PORCINE)", "stdName": "DYNORPHIN A (PORCINE)", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "733cc7ac-bb52-d30a-5982-f778aa9ccb72" ], "display_name": false }, { "uuid": "529b7239-201e-e85c-17e1-9fb259deacf9", "name": "DYNORPHIN A (RAT)", "stdName": "DYNORPHIN A (RAT)", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "733cc7ac-bb52-d30a-5982-f778aa9ccb72" ], "display_name": false }, { "uuid": "26c13079-c6e9-4895-a2d9-c8a4e576ee4b", "name": "DYNORPHIN A (SWINE)", "stdName": "DYNORPHIN A (SWINE)", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "733cc7ac-bb52-d30a-5982-f778aa9ccb72" ], "display_name": false }, { "uuid": "0d4e41e6-50ed-6843-ccdf-49fe80a8d69a", "name": "DYNORPHIN A 1-17", "stdName": "DYNORPHIN A 1-17", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "ac964d27-1e9b-48be-b2fa-beb326df3f43" ], "display_name": false }, { "uuid": "bc11bcf4-102d-495e-8d5d-797f821e3e07", "name": "DYNORPHIN [MI]", "stdName": "DYNORPHIN [MI]", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "2e4e83f3-e542-49eb-9342-991003e8a06f", "215eacb9-653e-4bd5-a717-6991c274b3c1" ], "display_name": false }, { "uuid": "382d7470-eb3e-43ef-9617-dfde77164707", "name": "DYNORPHINS", "stdName": "DYNORPHINS", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "215eacb9-653e-4bd5-a717-6991c274b3c1", "ac964d27-1e9b-48be-b2fa-beb326df3f43" ], "display_name": false }, { "uuid": "1e93e7cd-7c32-7595-c1dd-638a346c6238", "name": "PORCINE DYNORPHIN A (1-17)", "stdName": "PORCINE DYNORPHIN A (1-17)", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "733cc7ac-bb52-d30a-5982-f778aa9ccb72" ], "display_name": false }, { "uuid": "13efe9df-e33e-19c9-0e7d-61880d5f829f", "name": "TYR-GLY-GLY-PHE-LEU-ARG-ARG-ILE-ARG-PRO-LYS-LEU-LYS-TRP-ASP-ASN-GLN", "stdName": "TYR-GLY-GLY-PHE-LEU-ARG-ARG-ILE-ARG-PRO-LYS-LEU-LYS-TRP-ASP-ASN-GLN", "type": "sys", "languages": [ "en" ], "preferred": false, "references": [ "733cc7ac-bb52-d30a-5982-f778aa9ccb72" ], "display_name": false } ], "references": [ { "uuid": "ac964d27-1e9b-48be-b2fa-beb326df3f43", "citation": "CHEMID", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "215eacb9-653e-4bd5-a717-6991c274b3c1", "citation": "CHEMID", "doc_type": "CHEMID", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "2e4e83f3-e542-49eb-9342-991003e8a06f", "citation": "Merck", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "be3f1476-d73b-4579-a429-5322064b7a8b", "citation": "SRS CODE IMPORT", "doc_type": "SRS", "public_domain": true, "document_date": 1493391970000, "tags": [ "NOMEN" ] }, { "uuid": "733cc7ac-bb52-d30a-5982-f778aa9ccb72", "citation": "STN", "doc_type": "STN (SCIFINDER)", "public_domain": true, "tags": [ "PUBLIC_DOMAIN_RELEASE", "NOMEN" ] }, { "uuid": "e6f3cd1d-5250-1244-3a8d-6de68945accf", "citation": "WIKI", "url": "https://en.wikipedia.org/wiki/Dynorphin_A", "doc_type": "WIKI", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE" ] }, { "uuid": "8a0fb37b-dde2-0e67-e371-a2fe5d338446", "citation": "MI", "doc_type": "MERCK INDEX", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE" ] }, { "uuid": "23988b50-9a3d-4cac-bb78-1b3a2889ac3a", "citation": "STN", "doc_type": "STN (SCIFINDER)", "public_domain": true } ], "definition_type": "PRIMARY", "moieties": [ { "uuid": "4cb38bff-0d55-7d58-ea3a-69984fc70da6", "id": "4cb38bff-0d55-7d58-ea3a-69984fc70da6", "molfile": "\n Marvin 01132104002D \n\n153157 0 0 1 0 999 V2000\n 60.4846 -22.9760 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 60.0721 -23.6905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 61.3096 -22.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 61.7221 -23.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 61.3097 -24.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 61.7221 -25.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 62.5471 -25.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 62.9597 -25.8338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 62.9596 -24.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 62.5471 -23.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 60.0720 -22.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 60.4845 -21.5470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 59.2470 -22.2616 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 58.8345 -21.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 58.0095 -21.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 57.5971 -22.2616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 57.5970 -20.8326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 56.7720 -20.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 56.3594 -20.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 56.7719 -19.4037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 55.5344 -20.1183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 55.1219 -19.4038 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 55.5344 -18.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 55.1219 -17.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 55.5344 -17.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 55.1218 -16.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 54.2969 -16.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 53.8844 -17.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 54.2969 -17.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 54.2969 -19.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 53.8845 -20.1183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 53.8845 -18.6893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 53.0595 -18.6893 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 52.6469 -19.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 53.0595 -20.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 52.6470 -20.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 53.8845 -20.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 52.6469 -17.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 53.0594 -17.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 51.8219 -17.9749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 51.4094 -17.2605 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 51.8218 -16.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 51.4094 -15.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 51.8218 -15.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 52.6468 -15.1170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 53.0594 -15.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 52.6468 -16.5459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 53.8844 -15.8314 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 50.5844 -17.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 50.1718 -16.5460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 50.1719 -17.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 49.3469 -17.9750 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 48.9344 -18.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 49.3469 -19.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 50.1719 -19.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 50.5844 -20.1183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 51.4094 -20.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 51.8219 -19.4039 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 51.8220 -20.8328 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 48.9344 -17.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 49.3469 -16.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 48.1093 -17.2605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 47.6968 -16.5461 0.0000 C 0 0 2 0 0 0 0 0 0 2 0 0\n 46.8718 -16.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 46.4594 -17.2605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 46.4593 -15.8316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 45.6344 -15.8316 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 45.2218 -16.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 45.6344 -17.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 45.2218 -17.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 44.3969 -17.9751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 43.9843 -17.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 44.3969 -16.5461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 43.1593 -17.2606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 45.2218 -15.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 44.3969 -15.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 45.6343 -14.4027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 46.4548 -14.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 46.6263 -13.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 45.9118 -13.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 45.2988 -13.6490 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 44.4918 -13.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 43.9397 -14.0906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 44.2368 -12.6929 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 43.4298 -12.5214 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 42.8778 -13.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 43.1327 -13.9191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 42.5807 -14.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 41.7737 -14.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 41.5188 -13.5760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 43.1749 -11.7367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 43.7269 -11.1237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 42.3679 -11.5653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 42.1130 -10.7806 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 42.6650 -10.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 42.4101 -9.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 41.6030 -9.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 42.9620 -8.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 41.3060 -10.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 40.7540 -11.2222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 41.0511 -9.8244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 40.2440 -9.6529 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 39.6920 -10.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 39.9469 -11.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 39.3949 -11.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 39.6499 -12.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 40.4568 -12.6199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 39.9891 -8.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 39.1822 -8.6968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 40.5411 -8.2552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 40.2862 -7.4706 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 39.4792 -7.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 39.2243 -6.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 39.7092 -5.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 39.2243 -5.1795 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 38.4396 -5.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 37.7252 -5.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 37.0107 -5.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 37.0107 -6.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 37.7252 -6.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 38.4396 -6.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 40.8383 -6.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 40.5833 -6.0729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 41.6452 -7.0290 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 42.1972 -6.4159 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 43.0042 -6.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 43.2592 -7.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 44.0662 -7.5436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 42.7072 -7.9851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 41.9423 -5.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 41.1353 -5.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 42.4943 -5.0182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 43.3013 -5.1897 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 43.5562 -5.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 44.3632 -6.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 44.6182 -6.9305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 44.9152 -5.5327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 43.8534 -4.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 44.6603 -4.7481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 43.5984 -3.7920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 44.1504 -3.1789 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 43.8954 -2.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 43.0885 -2.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 42.8335 -1.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 42.0265 -1.2666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 43.3855 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 44.9574 -3.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 45.2123 -4.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 45.5094 -2.7373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 48.1093 -15.8316 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0\n 47.6968 -15.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 48.9344 -15.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 49.3469 -15.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 6 0 0 0\n 1 3 1 0 0 0 0\n 1 11 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 10 2 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 9 7 2 0 0 0 0\n 10 9 1 0 0 0 0\n 11 12 1 0 0 0 0\n 13 11 2 3 0 0 0\n 14 13 1 0 0 0 0\n 15 14 1 0 0 0 0\n 15 16 1 0 0 0 0\n 17 15 2 3 0 0 0\n 18 17 1 0 0 0 0\n 19 18 1 0 0 0 0\n 19 20 1 0 0 0 0\n 21 19 2 3 0 0 0\n 22 21 1 6 0 0 0\n 22 23 1 0 0 0 0\n 22 30 1 0 0 0 0\n 23 24 1 0 0 0 0\n 24 25 1 0 0 0 0\n 24 29 2 0 0 0 0\n 25 26 2 0 0 0 0\n 26 27 1 0 0 0 0\n 28 27 2 0 0 0 0\n 29 28 1 0 0 0 0\n 30 31 2 0 0 0 0\n 32 30 1 0 0 0 0\n 33 32 1 1 0 0 0\n 33 34 1 0 0 0 0\n 38 33 1 0 0 0 0\n 34 35 1 0 0 0 0\n 35 36 1 0 0 0 0\n 35 37 1 0 0 0 0\n 38 39 1 0 0 0 0\n 40 38 2 3 0 0 0\n 41 40 1 6 0 0 0\n 41 42 1 0 0 0 0\n 41 49 1 0 0 0 0\n 42 43 1 0 0 0 0\n 43 44 1 0 0 0 0\n 44 45 1 0 0 0 0\n 45 46 2 3 0 0 0\n 46 47 1 0 0 0 0\n 46 48 1 0 0 0 0\n 49 50 1 0 0 0 0\n 51 49 2 3 0 0 0\n 52 51 1 1 0 0 0\n 52 53 1 0 0 0 0\n 60 52 1 0 0 0 0\n 53 54 1 0 0 0 0\n 54 55 1 0 0 0 0\n 55 56 1 0 0 0 0\n 56 57 2 3 0 0 0\n 57 58 1 0 0 0 0\n 57 59 1 0 0 0 0\n 60 61 2 0 0 0 0\n 62 60 1 0 0 0 0\n 63 62 1 6 0 0 0\n 63 64 1 0 0 0 0\n 63150 1 0 0 0 0\n 64 65 2 0 0 0 0\n 66 64 1 0 0 0 0\n 67 66 1 1 0 0 0\n 67 68 1 0 0 0 0\n 75 67 1 0 0 0 0\n 68 69 1 0 0 0 0\n 69 70 1 0 0 0 0\n 70 71 1 0 0 0 0\n 71 72 2 3 0 0 0\n 72 73 1 0 0 0 0\n 72 74 1 0 0 0 0\n 75 76 2 0 0 0 0\n 77 75 1 0 0 0 0\n 77 78 1 0 0 0 0\n 81 77 1 0 0 0 0\n 78 79 1 0 0 0 0\n 80 79 1 0 0 0 0\n 81 80 1 0 0 0 0\n 81 82 1 6 0 0 0\n 82 83 2 0 0 0 0\n 84 82 1 0 0 0 0\n 85 84 1 1 0 0 0\n 85 86 1 0 0 0 0\n 91 85 1 0 0 0 0\n 86 87 1 0 0 0 0\n 87 88 1 0 0 0 0\n 88 89 1 0 0 0 0\n 89 90 1 0 0 0 0\n 91 92 1 0 0 0 0\n 93 91 2 3 0 0 0\n 94 93 1 6 0 0 0\n 94 95 1 0 0 0 0\n 94 99 1 0 0 0 0\n 95 96 1 0 0 0 0\n 96 97 1 0 0 0 0\n 96 98 1 0 0 0 0\n 99100 1 0 0 0 0\n101 99 2 3 0 0 0\n102101 1 1 0 0 0\n102103 1 0 0 0 0\n108102 1 0 0 0 0\n103104 1 0 0 0 0\n104105 1 0 0 0 0\n105106 1 0 0 0 0\n106107 1 0 0 0 0\n108109 1 0 0 0 0\n110108 2 3 0 0 0\n111110 1 1 0 0 0\n112111 1 0 0 0 0\n111122 1 0 0 0 0\n112113 1 0 0 0 0\n113114 2 0 0 0 0\n113121 1 0 0 0 0\n114115 1 0 0 0 0\n116115 1 0 0 0 0\n116117 1 0 0 0 0\n121116 2 0 0 0 0\n117118 2 0 0 0 0\n119118 1 0 0 0 0\n120119 2 0 0 0 0\n121120 1 0 0 0 0\n122123 2 0 0 0 0\n122124 1 0 0 0 0\n125124 1 6 0 0 0\n125126 1 0 0 0 0\n125130 1 0 0 0 0\n126127 1 0 0 0 0\n127128 1 0 0 0 0\n127129 2 0 0 0 0\n130131 2 0 0 0 0\n130132 1 0 0 0 0\n133132 1 6 0 0 0\n133134 1 0 0 0 0\n133138 1 0 0 0 0\n134135 1 0 0 0 0\n135136 1 0 0 0 0\n135137 2 0 0 0 0\n138139 2 0 0 0 0\n138140 1 0 0 0 0\n141140 1 1 0 0 0\n141142 1 0 0 0 0\n141147 1 0 0 0 0\n142143 1 0 0 0 0\n143144 1 0 0 0 0\n144145 1 0 0 0 0\n144146 2 0 0 0 0\n147148 1 0 0 0 0\n147149 2 0 0 0 0\n150151 1 1 0 0 0\n150152 1 0 0 0 0\n152153 1 0 0 0 0\nM END", "smiles": "CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=N[C@@H](CC(C)C)C(=N[C@@H](CCCCN)C(=N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)O)O)O)O)NC(=O)[C@H](CCCN=C(N)N)N=C([C@H](CCCN=C(N)N)N=C([C@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)N=C(CN=C(CN=C([C@H](Cc5ccc(cc5)O)N)O)O)O)O)O", "formula": "C99H155N31O23", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "count_amount": { "type": "MOL RATIO", "average": 1, "units": "MOL RATIO", "uuid": "1bf665cb-0265-471f-9c4d-b73c0912d5c9" }, "defined_stereo": 16, "ez_centers": 0, "molecular_weight": "2147.4878", "optical_activity": "UNSPECIFIED", "stereo_centers": 16 } ], "definition_level": "COMPLETE", "uuid": "a500945a-201d-4b95-87e8-af7eff21440a", "version": "12", "structure": { "id": "b2c05b0a-6aae-40af-bcb5-77bd566bd44e", "molfile": "Dynorphin A (swine)\n Marvin 01132109152D \n\n154158 0 0 1 0 999 V2000\n 39.4792 -7.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 40.2862 -7.4706 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 40.5411 -8.2552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 39.9891 -8.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 40.2440 -9.6529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 41.0511 -9.8244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 41.3060 -10.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 42.1130 -10.7806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 42.3679 -11.5653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 43.1749 -11.7367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 43.4298 -12.5214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 44.2368 -12.6929 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 44.4918 -13.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 43.9397 -14.0906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 45.2988 -13.6490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 45.6343 -14.4027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 45.2218 -15.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 45.6344 -15.8316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 46.4593 -15.8316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 46.8718 -16.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 47.6968 -16.5461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 48.1093 -17.2605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 48.9344 -17.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 49.3469 -17.9750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 50.1719 -17.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 50.5844 -17.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 51.4094 -17.2605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 51.8219 -17.9749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 52.6469 -17.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 53.0595 -18.6893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 53.8845 -18.6893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 54.2969 -19.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 55.1219 -19.4038 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 55.5344 -18.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 55.1219 -17.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 55.5344 -17.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 55.1218 -16.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 54.2969 -16.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 53.8844 -17.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 54.2969 -17.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 55.5344 -20.1183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 56.3594 -20.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 56.7720 -20.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 57.5970 -20.8326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 58.0095 -21.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 58.8345 -21.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 59.2470 -22.2616 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 60.0720 -22.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 60.4846 -22.9760 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 61.3096 -22.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 61.7221 -23.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 61.3097 -24.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 61.7221 -25.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 62.5471 -25.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 62.9596 -24.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 62.5471 -23.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 62.9597 -25.8338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 60.0721 -23.6905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 60.4845 -21.5470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 57.5971 -22.2616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 56.7719 -19.4037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 53.8845 -20.1183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 52.6469 -19.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 53.0595 -20.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 52.6470 -20.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 53.8845 -20.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 53.0594 -17.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 51.8218 -16.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 51.4094 -15.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 51.8218 -15.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 52.6468 -15.1170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 53.0594 -15.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 52.6468 -16.5459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 53.8844 -15.8314 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 50.1718 -16.5460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 48.9344 -18.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 49.3469 -19.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 50.1719 -19.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 50.5844 -20.1183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 51.4094 -20.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 51.8219 -19.4039 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 51.8220 -20.8328 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 49.3469 -16.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 48.1093 -15.8316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 48.9344 -15.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 49.3469 -15.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 47.6968 -15.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 47.2844 -15.8316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 46.4594 -17.2605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 45.2218 -16.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 45.6344 -17.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 45.2218 -17.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 44.3969 -17.9751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 43.9843 -17.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 44.3969 -16.5461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 43.1593 -17.2606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 44.3969 -15.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 46.4548 -14.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 46.6263 -13.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 45.9118 -13.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 42.8778 -13.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 43.1327 -13.9191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 42.5807 -14.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 41.7737 -14.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 41.5188 -13.5760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 43.7269 -11.1237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 42.6650 -10.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 42.4101 -9.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 41.6030 -9.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 42.9620 -8.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 40.7540 -11.2222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 39.6920 -10.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 39.9469 -11.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 39.3949 -11.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 39.6499 -12.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 40.4568 -12.6199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 39.1822 -8.6968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 40.8383 -6.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 41.6452 -7.0290 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 42.1972 -6.4159 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 41.9423 -5.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 42.4943 -5.0182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 43.3013 -5.1897 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 43.8534 -4.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 43.5984 -3.7920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 44.1504 -3.1789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 43.8954 -2.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 43.0885 -2.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 42.8335 -1.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 42.0265 -1.2666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 43.3855 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 44.9574 -3.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 45.2123 -4.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 45.5094 -2.7373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 44.6603 -4.7481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 43.5562 -5.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 44.3632 -6.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 44.6182 -6.9305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 44.9152 -5.5327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 41.1353 -5.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 43.0042 -6.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 43.2592 -7.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 44.0662 -7.5436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 42.7072 -7.9851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 40.5833 -6.0729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 39.2243 -6.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 38.4396 -6.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 38.4396 -5.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 39.2243 -5.1795 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 39.7092 -5.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 37.7252 -5.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 37.0107 -5.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 37.0107 -6.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 37.7252 -6.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 15 13 1 6 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 24 25 1 0 0 0 0\n 25 26 1 0 0 0 0\n 26 27 1 0 0 0 0\n 27 28 1 0 0 0 0\n 28 29 1 0 0 0 0\n 29 30 1 0 0 0 0\n 30 31 1 0 0 0 0\n 31 32 1 0 0 0 0\n 32 33 1 0 0 0 0\n 33 34 1 6 0 0 0\n 34 35 1 0 0 0 0\n 35 36 2 0 0 0 0\n 36 37 1 0 0 0 0\n 37 38 2 0 0 0 0\n 39 38 1 0 0 0 0\n 40 39 2 0 0 0 0\n 35 40 1 0 0 0 0\n 33 41 1 0 0 0 0\n 41 42 1 0 0 0 0\n 42 43 1 0 0 0 0\n 43 44 1 0 0 0 0\n 44 45 1 0 0 0 0\n 45 46 1 0 0 0 0\n 46 47 1 0 0 0 0\n 47 48 1 0 0 0 0\n 48 49 1 0 0 0 0\n 49 50 1 0 0 0 0\n 50 51 1 0 0 0 0\n 51 52 2 0 0 0 0\n 52 53 1 0 0 0 0\n 53 54 2 0 0 0 0\n 55 54 1 0 0 0 0\n 56 55 2 0 0 0 0\n 51 56 1 0 0 0 0\n 54 57 1 0 0 0 0\n 49 58 1 6 0 0 0\n 48 59 2 0 0 0 0\n 45 60 2 0 0 0 0\n 42 61 2 0 0 0 0\n 32 62 2 0 0 0 0\n 30 63 1 1 0 0 0\n 63 64 1 0 0 0 0\n 64 65 1 0 0 0 0\n 64 66 1 0 0 0 0\n 29 67 2 0 0 0 0\n 27 68 1 6 0 0 0\n 68 69 1 0 0 0 0\n 69 70 1 0 0 0 0\n 70 71 1 0 0 0 0\n 71 72 1 0 0 0 0\n 72 73 2 0 0 0 0\n 72 74 1 0 0 0 0\n 26 75 2 0 0 0 0\n 24 76 1 1 0 0 0\n 76 77 1 0 0 0 0\n 77 78 1 0 0 0 0\n 78 79 1 0 0 0 0\n 79 80 1 0 0 0 0\n 80 81 2 0 0 0 0\n 80 82 1 0 0 0 0\n 23 83 2 0 0 0 0\n 21 84 1 0 0 0 0\n 84 85 1 0 0 0 0\n 85 86 1 0 0 0 0\n 84 87 1 1 0 0 0\n 21 88 1 1 0 0 0\n 20 89 2 0 0 0 0\n 18 90 1 1 0 0 0\n 90 91 1 0 0 0 0\n 91 92 1 0 0 0 0\n 92 93 1 0 0 0 0\n 93 94 1 0 0 0 0\n 94 95 2 0 0 0 0\n 94 96 1 0 0 0 0\n 17 97 2 0 0 0 0\n 16 98 1 0 0 0 0\n 98 99 1 0 0 0 0\n100 99 1 0 0 0 0\n 15100 1 0 0 0 0\n 11101 1 1 0 0 0\n101102 1 0 0 0 0\n102103 1 0 0 0 0\n103104 1 0 0 0 0\n104105 1 0 0 0 0\n 10106 2 0 0 0 0\n 8107 1 6 0 0 0\n107108 1 0 0 0 0\n108109 1 0 0 0 0\n108110 1 0 0 0 0\n 7111 2 0 0 0 0\n 5112 1 1 0 0 0\n112113 1 0 0 0 0\n113114 1 0 0 0 0\n114115 1 0 0 0 0\n115116 1 0 0 0 0\n 4117 2 0 0 0 0\n 2118 1 1 0 0 0\n118119 1 0 0 0 0\n120119 1 6 0 0 0\n120121 1 0 0 0 0\n121122 1 0 0 0 0\n122123 1 0 0 0 0\n123124 1 6 0 0 0\n124125 1 0 0 0 0\n126125 1 1 0 0 0\n126127 1 0 0 0 0\n127128 1 0 0 0 0\n128129 1 0 0 0 0\n129130 1 0 0 0 0\n129131 2 0 0 0 0\n126132 1 0 0 0 0\n132133 1 0 0 0 0\n132134 2 0 0 0 0\n124135 2 0 0 0 0\n123136 1 0 0 0 0\n136137 1 0 0 0 0\n137138 1 0 0 0 0\n137139 2 0 0 0 0\n121140 2 0 0 0 0\n120141 1 0 0 0 0\n141142 1 0 0 0 0\n142143 1 0 0 0 0\n142144 2 0 0 0 0\n118145 2 0 0 0 0\n 1146 1 0 0 0 0\n146147 1 0 0 0 0\n147148 1 0 0 0 0\n148149 1 0 0 0 0\n150149 1 0 0 0 0\n146150 2 0 0 0 0\n148151 2 0 0 0 0\n151152 1 0 0 0 0\n153152 2 0 0 0 0\n154153 1 0 0 0 0\n147154 2 0 0 0 0\nM END", "smiles": "CC[C@H](C)[C@@]([H])(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)CNC(=O)CNC(=O)[C@H](Cc5ccc(cc5)O)N", "formula": "C99H155N31O23", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "defined_stereo": 16, "ez_centers": 0, "molecular_weight": "2147.4878", "optical_activity": "UNSPECIFIED", "references": [ "ac964d27-1e9b-48be-b2fa-beb326df3f43", "733cc7ac-bb52-d30a-5982-f778aa9ccb72", "8a0fb37b-dde2-0e67-e371-a2fe5d338446" ], "stereo_centers": 16 }, "unii": "9M18T0TD14" } ] }