uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07419967B2
查看![(3R,3aS,6aR)hexahydrofuro [2,3-b]furan-3-yl N-((1S,2R)-1-benzyl-3-(cyclopentyloxy)[(3-hydroxyphenyl)sulfonyl]amino-2-hydroxypropyl)carbamate 分子结构式](/api/mol/69223281/svg/360x280.svg)
HCID69223281
(3R,3aS,6aR)hexahydrofuro [2,3-b]furan-3-yl N-((1S,2R)-1-benzyl-3-(cyclopentyloxy)[(3-hydroxyphenyl)sulfonyl]amino-2-hydroxypropyl)carbamate
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-cyclopentyloxy-3-hydroxy-4-[(3-hydroxyphenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate
C28H36N2O9S576.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(NS(=O)(=O)c1cccc(O)c1)OC1CCCC1)O[C@H]1CO[C@H]2OCC[C@H]21
- InChIKey
- AGXOLCFHFVVZMP-QKSBKCCOSA-N
- 分子式
- C28H36N2O9S
- 平均分子量
- 576.7 g/mol
- 单同位素质量
- 576.2141519
COMPUTED
结构计算性质
- XLogP
- 3
- 极性表面积
- 161 Ų
- 氢键供体
- 4
- 氢键受体
- 10
- 可旋转键
- 12
- 重原子
- 40
- 形式电荷
- 0
- 复杂度
- 919
ALIASES
名称与别名
SCHEMBL4869347AGXOLCFHFVVZMP-QKSBKCCOSA-N(3R,3aS,6aR)hexahydrofuro [2,3-b]furan-3-yl N-((1S,2R)-1-benzyl-3-(cyclopentyloxy)[(3-hydroxyphenyl)sulfonyl]amino-2-hydroxypropyl)carbamate(3R,3aS,6aR)hexahydrofuro[2,3-b]furan-3-yl N-((1S,2R)-1-benzyl-3-(cyclopentyloxy)[(3-hydroxyphenyl)sulfonyl]amino-2-hydroxypropyl)carbamate
REACTIONS
