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-{[(methylamino)carbonyl]oxy}benzyl)propylcarbamate 分子结构式](/api/mol/59997377/svg/360x280.svg)
HCID59997377
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl (1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-2-hydroxy-1-(4-{[(methylamino)carbonyl]oxy}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-(methylcarbamoyloxy)phenyl]butan-2-yl]carbamate
C30H39N3O11S649.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CNC(=O)Oc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc3c(c2)OCO3)cc1
- InChIKey
- JFTHWYVCKRAMKR-JOQJHHFZSA-N
- 分子式
- C30H39N3O11S
- 平均分子量
- 649.7 g/mol
- 单同位素质量
- 649.23053024
COMPUTED
结构计算性质
- XLogP
- 3
- 极性表面积
- 180 Ų
- 氢键供体
- 3
- 氢键受体
- 12
- 可旋转键
- 14
- 重原子
- 45
- 形式电荷
- 0
- 复杂度
- 1,100
ALIASES
名称与别名
SCHEMBL6060964JFTHWYVCKRAMKR-JOQJHHFZSA-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-{[(methylamino)carbonyl]oxy}benzyl)propylcarbamate
REACTIONS
参与反应
uspto-grants-2005_04 · 10.6084/m9.figshare.5104873.v1 · US06878728B1
查看