HIT ID: HIT212668300
Cas No: 2341796-78-7
分子式: C27H41Cl2N5O4S
分子量: 602.62
常用名: (S,R,S)-AHPC-C4-NH2 dihydrochloride
常用名: (S,R,S)-AHPC-C4-NH2 dihydrochloride
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 dihydrochloride
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 dihydrochloride
SMILES: Cl.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.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: QBJGQVIKGJREIR-IYCRVZLISA-N
