uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07419967B2
查看![(3R,3aS,6aR)hexahydrofuro[2,3-b]furan-3-yl (1S,2R)-1-benzyl-3-{(1-ethylpropoxy)[(4-hydroxyphenyl)sulfonyl]amino}-2-hydroxypropylcarbamate 分子结构式](/api/mol/59090686/svg/360x280.svg)
HCID59090686
(3R,3aS,6aR)hexahydrofuro[2,3-b]furan-3-yl (1S,2R)-1-benzyl-3-{(1-ethylpropoxy)[(4-hydroxyphenyl)sulfonyl]amino}-2-hydroxypropylcarbamate
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[(4-hydroxyphenyl)sulfonyl-pentan-3-yloxyamino]-1-phenylbutan-2-yl]carbamate
C28H38N2O9S578.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCC(CC)ON(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(O)cc1
- InChIKey
- ALQRYWHLUHHGQY-UIPNDDLNSA-N
- 分子式
- C28H38N2O9S
- 平均分子量
- 578.7 g/mol
- 单同位素质量
- 578.22980197
COMPUTED
结构计算性质
- XLogP
- 3.8
- 极性表面积
- 152 Ų
- 氢键供体
- 3
- 氢键受体
- 10
- 可旋转键
- 14
- 重原子
- 40
- 形式电荷
- 0
- 复杂度
- 883
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL14066036ALQRYWHLUHHGQY-UIPNDDLNSA-N(3R,3aS,6aR)hexahydrofuro[2,3-b]furan-3-yl (1S,2R)-1-benzyl-3-{(1-ethylpropoxy)[(4-hydroxyphenyl)sulfonyl]amino}-2-hydroxypropylcarbamate(3r,3as,6ar)hexahydrofuro[2,3-b]furan-3-yl(1s,2r)-1-benzyl-3-{(1-ethylpropoxy)[(4-hydroxyphenyl)sulfonyl]amino}-2-hydroxypropylcarbamate
REACTIONS
参与反应
uspto-grants-2003_09 · 10.6084/m9.figshare.5104873.v1 · US06613743B2
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