uspto-grants-2012_11 · 10.6084/m9.figshare.5104873.v1 · US08309580B2
查看![3-[{[4-({Cyclohexyl[2-(methoxymethyl)-5-(6-methoxypyridin-3-yl)furan-3-yl]methyl}amino)phenyl]carbonyl}(methyl)amino]propanoic acid 分子结构式](/api/mol/59529372/svg/360x280.svg)
HCID59529372
3-[{[4-({Cyclohexyl[2-(methoxymethyl)-5-(6-methoxypyridin-3-yl)furan-3-yl]methyl}amino)phenyl]carbonyl}(methyl)amino]propanoic acid
3-[[4-[[cyclohexyl-[2-(methoxymethyl)-5-(6-methoxy-3-pyridinyl)furan-3-yl]methyl]amino]benzoyl]-methylamino]propanoic acid
C30H37N3O6535.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COCc1oc(-c2ccc(OC)nc2)cc1C(Nc1ccc(C(=O)N(C)CCC(=O)O)cc1)C1CCCCC1
- InChIKey
- UBPPMDGJWZWNJK-UHFFFAOYSA-N
- 分子式
- C30H37N3O6
- 平均分子量
- 535.6 g/mol
- 单同位素质量
- 535.26823591
COMPUTED
结构计算性质
- XLogP
- 4.4
- 极性表面积
- 114 Ų
- 氢键供体
- 2
- 氢键受体
- 8
- 可旋转键
- 12
- 重原子
- 39
- 形式电荷
- 0
- 复杂度
- 770
ALIASES
名称与别名
SCHEMBL3098604UBPPMDGJWZWNJK-UHFFFAOYSA-N3-[{[4-({cyclohexyl[2-(methoxymethyl)-5-(6-methoxypyridin-3-yl)furan-3-yl]methyl}amino)phenyl]carbonyl}(methyl)amino]propanoic acid
REACTIONS
参与反应