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          "molfile": "\n  Marvin  01132103562D          \n\n 33 34  0  0  1  0            999 V2000\n    3.7380   -1.9579    0.0000 C   0  0  2  0  0  0  0  0  0  2  0  0\n    3.7380   -2.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0234   -3.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0234   -4.0193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3088   -2.7825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0234   -1.5456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3088   -1.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5942   -1.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8795   -1.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1649   -1.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5497   -1.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2643   -1.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2643   -0.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9789   -0.3088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6935   -0.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5497   -0.3088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5497    0.5158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1649   -0.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4526   -1.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4526   -0.7211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1672   -1.9579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8819   -1.5456    0.0000 C   0  0  1  0  0  0  0  0  0  2  0  0\n    6.5965   -1.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3111   -1.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0257   -1.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7403   -1.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7403   -0.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0257   -0.3088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3111   -0.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8819   -0.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5965    0.3783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1672    0.3783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4526   -0.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  6  1  6  0  0  0\n  1 19  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  3  5  2  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 10 18  2  0  0  0  0\n 11 12  2  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 16 13  2  0  0  0  0\n 14 15  1  0  0  0  0\n 16 17  1  0  0  0  0\n 18 16  1  0  0  0  0\n 19 20  2  0  0  0  0\n 21 19  1  0  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 30 32  1  0  0  0  0\n 32 33  1  0  0  0  0\nM  END",
          "smiles": "COc1ccc(CCCN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)cc1O",
          "formula": "C24H30N2O7",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ABSOLUTE",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "5872a6e5-93ee-4429-b3cc-7d2312fef4f2"
          },
          "defined_stereo": 2,
          "ez_centers": 0,
          "molecular_weight": "458.5051",
          "optical_activity": "UNSPECIFIED",
          "stereo_centers": 2
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "37eeda5f-9f98-47a7-980d-50446ed943ef",
      "version": "13",
      "structure": {
        "id": "7d1fa8fe-0391-4a93-99e2-a8580577564f",
        "molfile": "\n  Marvin  01132106302D          \n\n 34 34  0  0  1  0            999 V2000\n   -2.6935   -0.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9789   -0.3088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2643   -0.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2643   -1.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5497   -1.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1649   -1.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1649   -0.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5497   -0.3088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5497    0.5158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8795   -1.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5942   -1.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3088   -1.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0234   -1.5456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7380   -1.9579    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    3.7380   -2.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0234   -3.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0234   -4.0193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3088   -2.7825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4526   -1.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4526   -0.7211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1672   -1.9579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8819   -1.5456    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    5.8819   -0.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5965    0.3783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1672    0.3783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4526   -0.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5965   -1.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3111   -1.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0257   -1.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7403   -1.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7403   -0.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0257   -0.3088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3111   -0.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0234   -4.7614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  2  0  0  0  0\n  6  5  1  0  0  0  0\n  6  7  2  0  0  0  0\n  7  8  1  0  0  0  0\n  8  3  2  0  0  0  0\n  8  9  1  0  0  0  0\n 10  6  1  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  1  0  0  0  0\n 13 12  1  0  0  0  0\n 14 13  1  0  0  0  0\n 14 15  1  6  0  0  0\n 15 16  1  0  0  0  0\n 16 17  2  0  0  0  0\n 16 18  1  0  0  0  0\n 19 14  1  0  0  0  0\n 19 20  2  0  0  0  0\n 21 19  1  0  0  0  0\n 22 21  1  0  0  0  0\n 22 23  1  6  0  0  0\n 23 24  2  0  0  0  0\n 23 25  1  0  0  0  0\n 25 26  1  0  0  0  0\n 22 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  2  0  0  0  0\n 30 31  1  0  0  0  0\n 32 31  2  0  0  0  0\n 33 32  1  0  0  0  0\n 28 33  2  0  0  0  0\nM  END",
        "smiles": "COc1ccc(CCCN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)cc1O.O",
        "formula": "C24H30N2O7.H2O",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 2,
        "ez_centers": 0,
        "molecular_weight": "476.5204",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "7cc8f008-8632-4bdb-94f3-7be207c22bc8",
          "a2e967b6-5d01-4b3d-8a2a-27d6921ccc38"
        ],
        "stereo_centers": 2
      },
      "unii": "3ZA6810AWX"
    }
  ]
}