HIT ID: HIT212668298
Cas No:
分子式: C28H38F3N5O6S
分子量: 629.7
常用名: (S,R,S)-AHPC-C3-NH2 TFA (2361119-88-0 free base)
常用名: (S,R,S)-AHPC-C3-NH2 TFA (2361119-88-0 free base)
氢键受体数 (HBA): 6
氢键供体数 (HBD): 4
LogP: 0.2709254
IUPAC: (2S,4R)-1-[(2S)-2-(4-aminobutanamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide; trifluoroacetic acid
IUPAC: (2S,4R)-1-[(2S)-2-(4-aminobutanamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide; trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCN)C(C)(C)C)cc1
SMILES: OC(=O)C(F)(F)F.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCN)C(C)(C)C)cc1
InChI key: MDVHDVIBUKXMTL-XUXADIIKSA-N
