uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07772221B2
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HCID68464736
(s)-n-((2s,3r)-4-((1s,3r)-3-(Allyloxy)-6-methoxy-2,3-dihydro-1h-inden-1-yl-amino)-1-(3,5-dichlorophenyl)-3-hydroxybutan-2-yl)-2-(n-methylpentyl-sulfon-amido)pent-4-enamide
(2S)-N-[(2S,3R)-1-(3,5-dichlorophenyl)-3-hydroxy-4-[[(1S,3R)-6-methoxy-3-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl]amino]butan-2-yl]-2-[methyl(pentylsulfonyl)amino]pent-4-enamide
C34H47Cl2N3O6S696.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- C=CCO[C@@H]1C[C@H](NC[C@@H](O)[C@H](Cc2cc(Cl)cc(Cl)c2)NC(=O)[C@H](CC=C)N(C)S(=O)(=O)CCCCC)c2cc(OC)ccc21
- InChIKey
- PCAWLDIOKPBSPO-IJLINHMISA-N
- 分子式
- C34H47Cl2N3O6S
- 平均分子量
- 696.7 g/mol
- 单同位素质量
- 695.2562628
COMPUTED
结构计算性质
- XLogP
- 6.5
- 极性表面积
- 126 Ų
- 氢键供体
- 3
- 氢键受体
- 8
- 可旋转键
- 20
- 重原子
- 46
- 形式电荷
- 0
- 复杂度
- 1,050
ALIASES
名称与别名
SCHEMBL2979729PCAWLDIOKPBSPO-IJLINHMISA-N(s)-n-((2s,3r)-4-((1s,3r)-3-(allyloxy)-6-methoxy-2,3-dihydro-1h-inden-1-yl-amino)-1-(3,5-dichlorophenyl)-3-hydroxybutan-2-yl)-2-(n-methylpentyl-sulfon-amido)pent-4-enamide
REACTIONS
参与反应