HIT ID: HIT212080453
Cas No: 2245697-83-8
分子式: C27H40ClN5O4S
分子量: 566.16
常用名: (S,R,S)-AHPC-C4-NH2 hydrochloride
常用名: (S,R,S)-AHPC-C4-NH2 hydrochloride
氢键受体数 (HBA): 6
氢键供体数 (HBD): 4
LogP: 0.71549404
IUPAC: (2S,4R)-1-[(2S)-2-(5-aminopentanamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide hydrochloride
IUPAC: (2S,4R)-1-[(2S)-2-(5-aminopentanamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide hydrochloride
SMILES: Cl.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCN)C(C)(C)C)cc1
SMILES: Cl.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCN)C(C)(C)C)cc1
InChI key: HJICCZROGLAHNB-BIBCNAKVSA-N
