uspto-grants-2011_04 · 10.6084/m9.figshare.5104873.v1 · US07928264B2
查看![methyl 4'-[[2-[(tert-butoxycarbonyl)[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-ethyl]amino]-3-(cyclohexyloxy)-4-biphenylcarboxylate 分子结构式](/api/mol/67097299/svg/360x280.svg)
HCID67097299
methyl 4'-[[2-[(tert-butoxycarbonyl)[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-ethyl]amino]-3-(cyclohexyloxy)-4-biphenylcarboxylate
methyl 4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]phenyl]-2-cyclohexyloxybenzoate
C35H43ClN2O6623.2 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COC(=O)c1ccc(-c2ccc(NCCN(C[C@H](O)c3cccc(Cl)c3)C(=O)OC(C)(C)C)cc2)cc1OC1CCCCC1
- InChIKey
- FZBPBAGPHPWMNN-HKBQPEDESA-N
- 分子式
- C35H43ClN2O6
- 平均分子量
- 623.2 g/mol
- 单同位素质量
- 622.2809648
COMPUTED
结构计算性质
- XLogP
- 7.5
- 极性表面积
- 97.3 Ų
- 氢键供体
- 2
- 氢键受体
- 7
- 可旋转键
- 14
- 重原子
- 44
- 形式电荷
- 0
- 复杂度
- 885
ALIASES
名称与别名
SCHEMBL1620854FZBPBAGPHPWMNN-HKBQPEDESA-Nmethyl 4'-[[2-[(tert-butoxycarbonyl)-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-ethyl]amino]-3-(cyclohexyloxy)-4-biphenylcarboxylatemethyl 4'-[[2-[(tert-butoxycarbonyl)[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-ethyl]amino]-3-(cyclohexyloxy)-4-biphenylcarboxylate
REACTIONS
