uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846707B2
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HCID89766028
benzyl 2-(benzyloxy)-4-(N-(4-(1-(4-cyanobenzoyl)piperidin-4-yl)benzyl)-2-(N,4-dimethylphenylsulfonamido)acetamido)benzoate
benzyl 4-[[4-[1-(4-cyanobenzoyl)piperidin-4-yl]phenyl]methyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-2-phenylmethoxybenzoate
C51H48N4O7S861 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(C3CCN(C(=O)c4ccc(C#N)cc4)CC3)cc2)c2ccc(C(=O)OCc3ccccc3)c(OCc3ccccc3)c2)cc1
- InChIKey
- CMYZQGKEPTXODR-UHFFFAOYSA-N
- 分子式
- C51H48N4O7S
- 平均分子量
- 861 g/mol
- 单同位素质量
- 860.32437106
COMPUTED
结构计算性质
- XLogP
- 8.2
- 极性表面积
- 146 Ų
- 氢键供体
- 0
- 氢键受体
- 9
- 可旋转键
- 16
- 重原子
- 63
- 形式电荷
- 0
- 复杂度
- 1,620
ALIASES
名称与别名
SCHEMBL15208953CMYZQGKEPTXODR-UHFFFAOYSA-Nbenzyl 2-(benzyloxy)-4-(N-(4-(1-(4-cyanobenzoyl)piperidin-4-yl)benzyl)-2-(N,4-dimethylphenylsulfonamido)acetamido)benzoate
REACTIONS
参与反应