uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07419967B2
查看![(2S)-N1-((1S,2R)-1-benzyl-3-(cyclopentyloxy)[(4-methoxyphenyl)sulfonyl]amino-2-hydroxypropyl)-2-[(2-quinolinylcarbonyl)amino]butanediamide 分子结构式](/api/mol/86585033/svg/360x280.svg)
HCID86585033
(2S)-N1-((1S,2R)-1-benzyl-3-(cyclopentyloxy)[(4-methoxyphenyl)sulfonyl]amino-2-hydroxypropyl)-2-[(2-quinolinylcarbonyl)amino]butanediamide
(2S)-N-[(2S,3R)-4-cyclopentyloxy-3-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide
C36H41N5O8S703.8 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1ccc(S(=O)(=O)NC(OC2CCCC2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3n2)cc1
- InChIKey
- AWMQLLIHTBZVOG-DRERQBRYSA-N
- 分子式
- C36H41N5O8S
- 平均分子量
- 703.8 g/mol
- 单同位素质量
- 703.26758446
COMPUTED
结构计算性质
- XLogP
- 3.3
- 极性表面积
- 207 Ų
- 氢键供体
- 5
- 氢键受体
- 10
- 可旋转键
- 16
- 重原子
- 50
- 形式电荷
- 0
- 复杂度
- 1,210
ALIASES
名称与别名
AWMQLLIHTBZVOG-DRERQBRYSA-N(2S)-N1-((1S,2R)-1-benzyl-3-(cyclopentyloxy)[(4-methoxyphenyl)sulfonyl]amino-2-hydroxypropyl)-2-[(2-quinolinylcarbonyl)amino]butanediamide
REACTIONS
参与反应
uspto-grants-2003_09 · 10.6084/m9.figshare.5104873.v1 · US06613743B2
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