HIT ID: HIT212080441
Cas No: 1797406-80-4
分子式: C30H43N7O7S
分子量: 645.78
常用名: (S,R,S)-AHPC-PEG3-N3
氢键受体数 (HBA): 10
氢键供体数 (HBD): 3
LogP: 0.5315512
IUPAC: (2S,4R)-1-[(2S)-2-(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}acetamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
IUPAC: (2S,4R)-1-[(2S)-2-(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}acetamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
SMILES: Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCN=[N+]=[N-])C(C)(C)C)cc1
SMILES: Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCN=[N+]=[N-])C(C)(C)C)cc1
InChI key: MZOMHQGOVGODTD-ONBPZOJHSA-N
