Nastorazepide
HIT212664859
sdf文件结构编辑类似物检索
HIT ID: HIT212664859
Cas No: 209219-38-5
分子式: C29H36N4O5
分子量: 520.63
常用名: Nastorazepide
氢键受体数 (HBA): 6
氢键供体数 (HBD): 3
LogP: 4.742581
IUPAC: 3-({[(3R)-5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl]carbamoyl}amino)benzoic acid
IUPAC: 3-({[(3R)-5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl]carbamoyl}amino)benzoic acid
SMILES: CC(C)(C)C(=O)CN1c2ccccc2N(C[C@@H](NC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCC1
SMILES: CC(C)(C)C(=O)CN1c2ccccc2N(C[C@@H](NC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCC1
InChI key: VIJCCFFEBCOOIE-JOCHJYFZSA-N
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