Ici 200880
HIT212710925
sdf文件结构编辑类似物检索
HIT ID: HIT212710925
Cas No: 105080-50-0
分子式: C30H34ClF3N4O7S
分子量: 687.13
常用名: Ici 200880
氢键受体数 (HBA): 7
氢键供体数 (HBD): 3
LogP: 4.58374
IUPAC: N1-(4-chlorobenzenesulfonyl)-N4-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]benzene-1,4-dicarboxamide
IUPAC: N1-(4-chlorobenzenesulfonyl)-N4-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]benzene-1,4-dicarboxamide
SMILES: CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F
SMILES: CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F
InChI key: YGPYJEFIYYPEEE-OTKIHZFJSA-N
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