HIT ID: HIT217867927
Cas No: 2098799-79-0
分子式: C29H38N4O6S
分子量: 570.71
常用名: (S,R,S)-AHPC-O-PEG1-propargyl
氢键受体数 (HBA): 7
氢键供体数 (HBD): 3
LogP: 2.537
IUPAC: (2S,4R)-1-[(2S)-3,3-dimethyl-2-{2-[2-(prop-2-yn-1-yloxy)ethoxy]acetamido}butanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
IUPAC: (2S,4R)-1-[(2S)-3,3-dimethyl-2-{2-[2-(prop-2-yn-1-yloxy)ethoxy]acetamido}butanoyl]-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)COCCOCC#C)C(C)(C)C)cc1
SMILES: Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCC#C)C(C)(C)C)cc1
InChI key: GZSOURYSHDAJDX-MVERNJQCSA-N
