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-2.7527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6896 -3.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.2641 -8.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.6930 -8.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 2 0 0 0 0\n 4 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 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 14 13 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 14 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 26 29 2 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 0 0 0 0\n 34 35 2 0 0 0 0\n 34 36 1 0 0 0 0\n 27 37 1 0 0 0 0\n 16 38 1 0 0 0 0\n 38 39 1 0 0 0 0\n 39 40 1 0 0 0 0\n 40 41 1 0 0 0 0\n 16 42 2 0 0 0 0\n 28 41 1 0 0 0 0\n 28 44 2 0 0 0 0\n 25 45 2 0 0 0 0\n 29 46 1 0 0 0 0\n 9 48 1 6 0 0 0\n 11 49 1 0 0 0 0\n 14 50 1 6 0 0 0\n 15 51 1 6 0 0 0\n 22 53 1 1 0 0 0\n 21 54 2 0 0 0 0\n 18 55 2 0 0 0 0\n 43 56 2 0 0 0 0\n 43 57 1 0 0 0 0\n 47 58 1 0 0 0 0\n 52 59 2 0 0 0 0\n 52 60 1 0 0 0 0\n 19 30 1 1 0 0 0\n 8 47 1 6 0 0 0\n 23 52 1 1 0 0 0\n 39 43 1 1 0 0 0\nM END", "smiles": "C/C=C\\1/C(=O)N[C@H]([C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@]([H])(/C=C/C(=C/[C@H](C)[C@H](Cc2ccccc2)OC)/C)[C@H](C)C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C(=O)O", "formula": "C41H60N8O10", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "defined_stereo": 8, "ez_centers": 3, "molecular_weight": "824.9643", "optical_activity": "UNSPECIFIED", "references": [ "d0d01cc0-9039-4f9e-83d9-dda3de14d799", "cfc2f1f2-f810-4db9-b4d5-7228d978fef3" ], "stereo_centers": 8 }, "unii": "0979BIK2QU" } ] }