Lercanidipine, (S)-
HIT212677894
sdf文件结构编辑类似物检索
HIT ID: HIT212677894
Cas No: 185197-71-1
分子式: C36H41N3O6
分子量: 611.739
常用名: Lercanidipine, (S)-
氢键受体数 (HBA): 6
氢键供体数 (HBD): 1
LogP: 6.4098167
IUPAC: 3-{1-[(3,3-diphenylpropyl)(methyl)amino]-2-methylpropan-2-yl} 5-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC: 3-{1-[(3,3-diphenylpropyl)(methyl)amino]-2-methylpropan-2-yl} 5-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILES: COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)(C)CN(C)CCC(c1ccccc1)c1ccccc1 |c:4,9|
SMILES: COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)(C)CN(C)CCC(c1ccccc1)c1ccccc1 |c:4,9|
InChI key: ZDXUKAKRHYTAKV-XIFFEERXSA-N
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