uspto-grants-2015_12 · 10.6084/m9.figshare.5104873.v1 · US09221834B2
查看![3-{3-[6-azetidin-1-yl-2-({(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl}methyl)pyridin-3-yl]-4-methoxyphenyl}propanoic acid 分子结构式](/api/mol/56971145/svg/360x280.svg)
HCID56971145
3-{3-[6-azetidin-1-yl-2-({(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl}methyl)pyridin-3-yl]-4-methoxyphenyl}propanoic acid
3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]propanoic acid
C31H29F6N3O5637.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1ccc(CCC(=O)O)cc1-c1ccc(N2CCC2)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
- InChIKey
- IZHHEBDQTGZZLK-HPGBDJQBSA-N
- 分子式
- C31H29F6N3O5
- 平均分子量
- 637.6 g/mol
- 单同位素质量
- 637.20114001
COMPUTED
结构计算性质
- XLogP
- 6
- 极性表面积
- 92.2 Ų
- 氢键供体
- 1
- 氢键受体
- 13
- 可旋转键
- 9
- 重原子
- 45
- 形式电荷
- 0
- 复杂度
- 1,020
ALIASES
名称与别名
3-{3-[6-azetidin-1-yl-2-({(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl}methyl)pyridin-3-yl]-4-methoxyphenyl}propanoic acidSCHEMBL17364896
REACTIONS
参与反应
uspto-grants-2015_12 · 10.6084/m9.figshare.5104873.v1 · US09221834B2
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