HIT ID: HIT212713130
Cas No: 105496-35-3
分子式: C30H41N5O7S
分子量: 615.75
常用名: LY 190388
氢键受体数 (HBA): 8
氢键供体数 (HBD): 8
LogP: -0.9682237
IUPAC: (2R)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methyl-3-sulfanylbutanamido]acetamido}-3-phenylpropanamido]-3-methylbutanoic acid
IUPAC: (2R)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methyl-3-sulfanylbutanamido]acetamido}-3-phenylpropanamido]-3-methylbutanoic acid
SMILES: CC(C)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)(C)S)C(O)=O
SMILES: CC(C)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)(C)S)C(O)=O
InChI key: PMSAWKRESCKOJT-HFOXQMJASA-N
