uspto-grants-2010_02 · 10.6084/m9.figshare.5104873.v1 · US07655632B2
查看![4-[(4-{(1E)-2-[1-Carbamoyl-1-(methyl)-ethylcarbamoyl]vinyl}-2-methylphenyl)methyl]-3-(beta-D-glucopyranosyloxy)-5-isopropyl-1H-pyrazole 分子结构式](/api/mol/68538156/svg/360x280.svg)
HCID68538156
4-[(4-{(1E)-2-[1-Carbamoyl-1-(methyl)-ethylcarbamoyl]vinyl}-2-methylphenyl)methyl]-3-(beta-D-glucopyranosyloxy)-5-isopropyl-1H-pyrazole
2-methyl-2-[[(E)-3-[3-methyl-4-[[5-propan-2-yl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrazol-4-yl]methyl]phenyl]prop-2-enoyl]amino]propanamide
C27H38N4O8546.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1cc(/C=C/C(=O)NC(C)(C)C(N)=O)ccc1Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)n[nH]c1C(C)C
- InChIKey
- ARLFLPSSLRHRIP-VVAUSDCYSA-N
- 分子式
- C27H38N4O8
- 平均分子量
- 546.6 g/mol
- 单同位素质量
- 546.26896418
COMPUTED
结构计算性质
- XLogP
- 1.1
- 极性表面积
- 200 Ų
- 氢键供体
- 7
- 氢键受体
- 9
- 可旋转键
- 10
- 重原子
- 39
- 形式电荷
- 0
- 复杂度
- 871
ALIASES
名称与别名
SCHEMBL3174709ARLFLPSSLRHRIP-VVAUSDCYSA-N4-[(4-{(1E)-2-[1-Carbamoyl-1-(methyl)-ethylcarbamoyl]vinyl}-2-methylphenyl)methyl]-3-(beta-D-glucopyranosyloxy)-5-isopropyl-1H-pyrazole4-[(4-{(1E)-2-[1-Carbamoyl-1-(methyl)ethylcarbamoyl]vinyl}-2-methylphenyl)methyl]-3-(beta-D-glucopyranosyloxy)-5-isopropyl-1H-pyrazole
REACTIONS
参与反应
uspto-grants-2008_05 · 10.6084/m9.figshare.5104873.v1 · US07375087B2
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