uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07871998B2
查看![N-({4-[(2R,3R)-1-(4-fluorophenyl)-3-({2-hydroxy-2-[4-(methylthio)phenyl]ethyl}thio)-4-oxoazetidin-2-yl]phenoxy}acetyl)glycyl-3-methyl-D-valine 分子结构式](/api/mol/66842891/svg/360x280.svg)
HCID66842891
N-({4-[(2R,3R)-1-(4-fluorophenyl)-3-({2-hydroxy-2-[4-(methylthio)phenyl]ethyl}thio)-4-oxoazetidin-2-yl]phenoxy}acetyl)glycyl-3-methyl-D-valine
(2R)-2-[[2-[[2-[4-[(2R,3R)-1-(4-fluorophenyl)-3-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]sulfanyl-4-oxoazetidin-2-yl]phenoxy]acetyl]amino]acetyl]amino]-3,3-dimethylbutanoic acid
C34H38FN3O7S2683.8 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CSc1ccc(C(O)CS[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(OCC(=O)NCC(=O)N[C@@H](C(=O)O)C(C)(C)C)cc2)cc1
- InChIKey
- TWTZYLKJHFNXFL-UAALLWRXSA-N
- 分子式
- C34H38FN3O7S2
- 平均分子量
- 683.8 g/mol
- 单同位素质量
- 683.21352107
COMPUTED
结构计算性质
- XLogP
- 4.8
- 极性表面积
- 196 Ų
- 氢键供体
- 4
- 氢键受体
- 10
- 可旋转键
- 15
- 重原子
- 47
- 形式电荷
- 0
- 复杂度
- 1,070
ALIASES
名称与别名
SCHEMBL919852TWTZYLKJHFNXFL-UAALLWRXSA-NN-({4-[(2R,3R)-1-(4-fluorophenyl)-3-({2-hydroxy-2-[4-(methylthio)phenyl]ethyl}thio)-4-oxoazetidin-2-yl]phenoxy}acetyl)glycyl-3-methyl-D-valine
REACTIONS
参与反应