HIT ID: HIT212718999
Cas No: 146345-90-6
分子式: C57H67N11O11
分子量: 1082.229
常用名: Men 10456
氢键受体数 (HBA): 13
氢键供体数 (HBD): 14
LogP: -1.5920393
IUPAC: (2S)-6-amino-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]hexanoic acid
IUPAC: (2S)-6-amino-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]hexanoic acid
SMILES: CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(O)=O
SMILES: CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(O)=O
InChI key: POGSXPZBAHMQCV-SXVLBCBNSA-N
