uspto-grants-2013_06 · 10.6084/m9.figshare.5104873.v1 · US08455497B2
查看![(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl (1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-2-hydroxy-1-[4-(3-hydroxypropoxy)benzyl]propylcarbamate 分子结构式](/api/mol/59997247/svg/360x280.svg)
HCID59997247
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl (1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-2-hydroxy-1-[4-(3-hydroxypropoxy)benzyl]propylcarbamate
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-[4-(3-hydroxypropoxy)phenyl]butan-2-yl]carbamate
C31H42N2O11S650.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)CN(C[C@@H](O)[C@H](Cc1ccc(OCCCO)cc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCO2
- InChIKey
- VHJNKBYUPTZGHV-UGSBDYSCSA-N
- 分子式
- C31H42N2O11S
- 平均分子量
- 650.7 g/mol
- 单同位素质量
- 650.25093133
COMPUTED
结构计算性质
- XLogP
- 3.1
- 极性表面积
- 171 Ų
- 氢键供体
- 3
- 氢键受体
- 12
- 可旋转键
- 16
- 重原子
- 45
- 形式电荷
- 0
- 复杂度
- 1,040
ALIASES
名称与别名
SCHEMBL13617850VHJNKBYUPTZGHV-UGSBDYSCSA-N(3R,3aS,6aR)-Hexahydrofuro[2,3-b)furan-3-yl (1S,2R)-3[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-2-hydroxy-1-[4-(3-hydroxypropoxy)benzyl]propylcarbamate(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl (1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-2-hydroxy-1-[4-(3-hydroxypropoxy)benzyl]propylcarbamate
REACTIONS
