(±)-H3RESCA-TFP
HIT212686722
sdf文件结构编辑类似物检索
HIT ID: HIT212686722
Cas No: 1919794-40-3
分子式: C27H28F4N2O8
分子量: 584.521
常用名: (±)-H3RESCA-TFP
氢键受体数 (HBA): 9
氢键供体数 (HBD): 3
LogP: 0.3998274
IUPAC: 2-[(carboxymethyl)[(1R,2R)-2-[(carboxymethyl)({4-[2-oxo-2-(2,3,5,6-tetrafluorophenoxy)ethyl]phenyl}methyl)amino]cyclohexyl]amino]acetic acid
IUPAC: 2-[(carboxymethyl)[(1R,2R)-2-[(carboxymethyl)({4-[2-oxo-2-(2,3,5,6-tetrafluorophenoxy)ethyl]phenyl}methyl)amino]cyclohexyl]amino]acetic acid
SMILES: OC(=O)CN(CC(O)=O)[C@@H]1CCCC[C@H]1N(CC(O)=O)Cc1ccc(CC(=O)Oc2c(F)c(F)cc(F)c2F)cc1
SMILES: OC(=O)CN(CC(O)=O)[C@@H]1CCCC[C@H]1N(CC(O)=O)Cc1ccc(CC(=O)Oc2c(F)c(F)cc(F)c2F)cc1
InChI key: GKFBSFKLJKSHSZ-WOJBJXKFSA-N
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