uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07906502B2
查看![N-({4-[(2R,3R)-3-{[2-(1,3-Benzodioxol-5-yl)-2-hydroxyethyl]thio}-1-(4-fluorophenyl)-4-oxoazetidin-2-yl]phenoxy}acetyl)glycyl-3-methyl-D-valine 分子结构式](/api/mol/16092110/svg/360x280.svg)
HCID16092110
N-({4-[(2R,3R)-3-{[2-(1,3-Benzodioxol-5-yl)-2-hydroxyethyl]thio}-1-(4-fluorophenyl)-4-oxoazetidin-2-yl]phenoxy}acetyl)glycyl-3-methyl-D-valine
(2R)-2-[[2-[[2-[4-[(2R,3R)-3-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]sulfanyl-1-(4-fluorophenyl)-4-oxoazetidin-2-yl]phenoxy]acetyl]amino]acetyl]amino]-3,3-dimethylbutanoic acid
C34H36FN3O9S681.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C)[C@@H](NC(=O)CNC(=O)COc1ccc([C@@H]2[C@@H](SCC(O)c3ccc4c(c3)OCO4)C(=O)N2c2ccc(F)cc2)cc1)C(=O)O
- InChIKey
- XMCUBZFNIDKGGQ-WIKGCJJNSA-N
- 分子式
- C34H36FN3O9S
- 平均分子量
- 681.7 g/mol
- 单同位素质量
- 681.21562907
COMPUTED
结构计算性质
- XLogP
- 4.1
- 极性表面积
- 189 Ų
- 氢键供体
- 4
- 氢键受体
- 11
- 可旋转键
- 14
- 重原子
- 48
- 形式电荷
- 0
- 复杂度
- 1,140
ALIASES
名称与别名
SCHEMBL2081421XMCUBZFNIDKGGQ-WIKGCJJNSA-NN-({4-[(2R,3R)-3-{[2-(1,3-Benzodioxol-5-yl)-2-hydroxyethyl]thio}-1-(4-fluorophenyl)-4-oxoazetidin-2-yl]phenoxy}acetyl)glycyl-3-methyl-D-valine
REACTIONS
参与反应
uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07906502B2
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