uspto-grants-2010_03 · 10.6084/m9.figshare.5104873.v1 · US07671032B2
查看![(1R,4R,5R)-N-[(1S)-1-[[[(1S)-1-Cyclohexyl-2-(methylamino)-2-oxoethyl]amino]carbonyl]-2,2-dimethylpropyl]-3-oxo-2-oxabicyclo[2.2.1]heptane-5-carboxamide 分子结构式](/api/mol/68490886/svg/360x280.svg)
HCID68490886
(1R,4R,5R)-N-[(1S)-1-[[[(1S)-1-Cyclohexyl-2-(methylamino)-2-oxoethyl]amino]carbonyl]-2,2-dimethylpropyl]-3-oxo-2-oxabicyclo[2.2.1]heptane-5-carboxamide
(1R,4R,5R)-N-[(2S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-3-oxo-2-oxabicyclo[2.2.1]heptane-5-carboxamide
C22H35N3O5421.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2)C(C)(C)C)C1CCCCC1
- InChIKey
- QPYBQUXPABBUCW-OVYGPGRDSA-N
- 分子式
- C22H35N3O5
- 平均分子量
- 421.5 g/mol
- 单同位素质量
- 421.25767123
COMPUTED
结构计算性质
- XLogP
- 2.6
- 极性表面积
- 114 Ų
- 氢键供体
- 3
- 氢键受体
- 5
- 可旋转键
- 7
- 重原子
- 30
- 形式电荷
- 0
- 复杂度
- 695
ALIASES
名称与别名
SCHEMBL3044001QPYBQUXPABBUCW-OVYGPGRDSA-N(1R,4R,5R)-N-[(1S)-1-[[[(1S)-1-Cyclohexyl-2-(methylamino)-2-oxoethyl]amino]carbonyl]-2,2-dimethylpropyl]-3-oxo-2-oxabicyclo[2.2.1]heptane-5-carboxamide
REACTIONS
参与反应
uspto-grants-2010_03 · 10.6084/m9.figshare.5104873.v1 · US07671032B2
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