uspto-grants-2015_12 · 10.6084/m9.figshare.5104873.v1 · US09199994B2
查看![(S)-8-(2-amino-6-((R)-1-(4-(3-ethoxy-3-oxopropyl)-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid 分子结构式](/api/mol/117952855/svg/360x280.svg)
HCID117952855
(S)-8-(2-amino-6-((R)-1-(4-(3-ethoxy-3-oxopropyl)-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
(3S)-8-[2-amino-6-[(1R)-1-[4-(3-ethoxy-3-oxopropyl)-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
C30H36F3N7O5631.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCOC(=O)CCc1ccc([C@@H](Oc2cc(N3CCC4(CC3)CN[C@H](C(=O)O)C4)nc(N)n2)C(F)(F)F)c(-n2ccc(C)n2)c1
- InChIKey
- ZIOXJYOTBCRXST-HFZDXXHNSA-N
- 分子式
- C30H36F3N7O5
- 平均分子量
- 631.6 g/mol
- 单同位素质量
- 631.27300176
COMPUTED
结构计算性质
- XLogP
- 1.7
- 极性表面积
- 158 Ų
- 氢键供体
- 3
- 氢键受体
- 14
- 可旋转键
- 11
- 重原子
- 45
- 形式电荷
- 0
- 复杂度
- 1,020
ALIASES
名称与别名
(S)-8-(2-amino-6-((R)-1-(4-(3-ethoxy-3-oxopropyl)-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acidSCHEMBL16568042
REACTIONS
参与反应