uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07592331B2
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HCID57842821
2-(4-(2-(3-((R)-1-(benzyloxycarbonylamino)-3-ethoxy-3-oxopropyl)phenylcarbamoyloxy)ethyl)-3-methylphenyl)-2-(3-carbamoylphenylamino)acetic acid
2-(3-carbamoylanilino)-2-[4-[2-[[3-[(1R)-3-ethoxy-3-oxo-1-(phenylmethoxycarbonylamino)propyl]phenyl]carbamoyloxy]ethyl]-3-methylphenyl]acetic acid
C38H40N4O9696.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCOC(=O)C[C@@H](NC(=O)OCc1ccccc1)c1cccc(NC(=O)OCCc2ccc(C(Nc3cccc(C(N)=O)c3)C(=O)O)cc2C)c1
- InChIKey
- SOWNCDHUROYJDY-GAWVXTGCSA-N
- 分子式
- C38H40N4O9
- 平均分子量
- 696.7 g/mol
- 单同位素质量
- 696.27952887
COMPUTED
结构计算性质
- XLogP
- 5.2
- 极性表面积
- 195 Ų
- 氢键供体
- 5
- 氢键受体
- 10
- 可旋转键
- 19
- 重原子
- 51
- 形式电荷
- 0
- 复杂度
- 1,150
ALIASES
名称与别名
SCHEMBL3860790SOWNCDHUROYJDY-GAWVXTGCSA-N2-(4-(2-(3-((R)-1-(benzyloxycarbonylamino)-3-ethoxy-3-oxopropyl)phenylcarbamoyloxy)ethyl)-3-methylphenyl)-2-(3-carbamoylphenylamino)acetic acid
REACTIONS
参与反应