Calpain Inhibitor-1
HIT212972257
sdf文件结构编辑类似物检索
HIT ID: HIT212972257
Cas No: 1448429-06-8
分子式: C19H17FN6O5S
分子量: 460.44
常用名: Calpain Inhibitor-1
氢键受体数 (HBA): 8
氢键供体数 (HBD): 3
LogP: -0.05094312
IUPAC: (2S,3S)-3-{[(1S)-1-({[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}carbamoyl)-2-(1,3-thiazol-4-yl)ethyl]carbamoyl}oxirane-2-carboxylic acid
IUPAC: (2S,3S)-3-{[(1S)-1-({[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}carbamoyl)-2-(1,3-thiazol-4-yl)ethyl]carbamoyl}oxirane-2-carboxylic acid
SMILES: OC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](Cc1cscn1)C(=O)NCc1cn(nn1)-c1ccc(F)cc1
SMILES: OC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](Cc1cscn1)C(=O)NCc1cn(nn1)-c1ccc(F)cc1
InChI key: IPWMYOJQVHCYRC-JYJNAYRXSA-N
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