HIT ID: HIT212080583
Cas No: 2341796-76-5
分子式: C28H43Cl2N5O6S
分子量: 648.64
常用名: (S,R,S)-AHPC-PEG2-NH2 dihydrochloride
常用名: (S,R,S)-AHPC-PEG2-NH2 dihydrochloride
氢键受体数 (HBA): 8
氢键供体数 (HBD): 4
LogP: 1.453
IUPAC: (2S,4R)-1-[(2S)-2-{2-[2-(2-aminoethoxy)ethoxy]acetamido}-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-{2-[2-(2-aminoethoxy)ethoxy]acetamido}-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)COCCOCCN)C(C)(C)C)cc1
SMILES: Cl.Cl.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCN)C(C)(C)C)cc1
InChI key: JHDIGXLPWYVAKX-OTCWRJAQSA-N
