(S,R,S)-AHPC-PEG6-C4-Cl
HIT212080444
sdf文件结构编辑类似物检索
HIT ID: HIT212080444
Cas No: 1835705-59-3
分子式: C40H63ClN4O10S
分子量: 827.47
常用名: (S,R,S)-AHPC-PEG6-C4-Cl
氢键受体数 (HBA): 11
氢键供体数 (HBD): 3
LogP: 2.391332
IUPAC: (2S,4R)-1-[(2S)-2-(24-chloro-3,6,9,12,15,18-hexaoxatetracosanamido)-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-(24-chloro-3,6,9,12,15,18-hexaoxatetracosanamido)-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)COCCOCCOCCOCCOCCOCCCCCCCl)C(C)(C)C)cc1
SMILES: Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOCCCCCCCl)C(C)(C)C)cc1
InChI key: XIGXWMDJELQVSW-WYMKREKISA-N
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