uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07901893B2
查看![4-((2S,3R)-3-[(3S)-3-(acetyloxy)-3-(4-fluorophenyl)propyl)-1-{4-(3-(ethylamino)-3-oxoprop-1-yn-1-yl]phenyl}-4-oxoazetidin-2-yl)phenyl methyl 2,3,4-tri-O-acetyl-beta-D-glucopyranosiduronate 分子结构式](/api/mol/86601878/svg/360x280.svg)
HCID86601878
4-((2S,3R)-3-[(3S)-3-(acetyloxy)-3-(4-fluorophenyl)propyl)-1-{4-(3-(ethylamino)-3-oxoprop-1-yn-1-yl]phenyl}-4-oxoazetidin-2-yl)phenyl methyl 2,3,4-tri-O-acetyl-beta-D-glucopyranosiduronate
methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[(2S,3R)-3-[(3S)-3-acetyloxy-3-(4-fluorophenyl)propyl]-1-[4-[3-(ethylamino)-3-oxoprop-1-ynyl]phenyl]-4-oxoazetidin-2-yl]phenoxy]oxane-2-carboxylate
C44H45FN2O14844.8 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCNC(=O)C#Cc1ccc(N2C(=O)[C@H](CC[C@H](OC(C)=O)c3ccc(F)cc3)[C@H]2c2ccc(O[C@@H]3O[C@H](C(=O)OC)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc2)cc1
- InChIKey
- PRONJUHKADDZCP-CTLMERNCSA-N
- 分子式
- C44H45FN2O14
- 平均分子量
- 844.8 g/mol
- 单同位素质量
- 844.28548228
COMPUTED
结构计算性质
- XLogP
- 4.6
- 极性表面积
- 199 Ų
- 氢键供体
- 1
- 氢键受体
- 15
- 可旋转键
- 20
- 重原子
- 61
- 形式电荷
- 0
- 复杂度
- 1,650
ALIASES
名称与别名
4-((2S,3R)-3-[(3S)-3-(acetyloxy)-3-(4-fluorophenyl)propyl)-1-{4-(3-(ethylamino)-3-oxoprop-1-yn-1-yl]phenyl}-4-oxoazetidin-2-yl)phenyl methyl 2,3,4-tri-O-acetyl-beta-D-glucopyranosiduronate4-((2S,3R)-3-[(3S)-3-(acetyloxy)-3-(4-fluorophenyl)propyl]-1-{4-(3-(ethylamino)-3-oxoprop-1-yn-1-yl]phenyl}-4-oxoazetidin-2-yl)phenyl methyl 2,3,4-tri-O-acetyl-beta-D-glucopyranosiduronatePRONJUHKADDZCP-CTLMERNCSA-N
REACTIONS
参与反应
uspto-grants-2009_11 · 10.6084/m9.figshare.5104873.v1 · US07622449B2
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