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        "molfile": "\n  Marvin  01132107052D          \n\n 32 33  0  0  1  0            999 V2000\n   10.1757  -10.5510    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   12.0867   -9.4963    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   14.2527   -9.2263    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    9.3688  -10.3795    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   10.7278   -9.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5348  -10.1095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8938   -9.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4458   -9.0548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5077  -10.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9556  -10.6240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.3147  -10.1825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8048   -8.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5498   -7.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.0348   -7.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5498   -6.4938    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7653   -6.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0507   -6.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3362   -6.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3362   -7.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0507   -7.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7653   -7.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1487  -10.4525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8318   -8.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0249   -8.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7699   -7.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3219   -7.1425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9629   -7.5841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4728   -9.1533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8168  -10.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0098  -10.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1139   -9.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4307  -11.3356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  4  1  0  0  0  0\n  1  5  1  0  0  0  0\n  6  2  1  0  0  0  0\n  5  6  1  0  0  0  0\n  2  7  1  0  0  0  0\n  8  3  1  0  0  0  0\n  7  8  1  0  0  0  0\n  3  9  1  0  0  0  0\n  9 10  2  0  0  0  0\n  9 11  1  0  0  0  0\n  3 12  1  1  0  0  0\n 12 13  1  0  0  0  0\n 13 14  2  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 18 17  2  0  0  0  0\n 19 18  1  0  0  0  0\n 20 19  2  0  0  0  0\n 21 20  1  0  0  0  0\n 16 21  2  0  0  0  0\n 13 21  1  0  0  0  0\n  7 22  2  0  0  0  0\n  2 23  1  1  0  0  0\n 23 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  2  0  0  0  0\n 25 27  1  0  0  0  0\n  5 28  2  0  0  0  0\n  4 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n  4 31  1  6  0  0  0\n  1 32  1  1  0  0  0\nM  END",
        "smiles": "CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)N",
        "formula": "C22H30N4O6",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 4,
        "ez_centers": 0,
        "molecular_weight": "446.4977",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "7ba2e772-4e55-4990-a416-664efd161f8d"
        ],
        "stereo_centers": 4
      },
      "unii": "0E7F7I1471"
    }
  ]
}