uspto-grants-2012_12 · 10.6084/m9.figshare.5104873.v1 · US08329699B2
查看![3-{[2-Cyclopropyl-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]-amino}-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester 分子结构式](/api/mol/58525275/svg/360x280.svg)
HCID58525275
3-{[2-Cyclopropyl-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]-amino}-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester
1-O-tert-butyl 3-O-methyl 3-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]pyrrolidine-1,3-dicarboxylate
C27H41N5O6Si559.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COC(=O)C1(NC(=O)c2cn(COCC[Si](C)(C)C)c3ncc(C4CC4)nc23)CCN(C(=O)OC(C)(C)C)C1
- InChIKey
- VTJWQYCVKUHWJO-UHFFFAOYSA-N
- 分子式
- C27H41N5O6Si
- 平均分子量
- 559.7 g/mol
- 单同位素质量
- 559.28261058
COMPUTED
结构计算性质
- 极性表面积
- 125 Ų
- 氢键供体
- 1
- 氢键受体
- 8
- 可旋转键
- 12
- 重原子
- 39
- 形式电荷
- 0
- 复杂度
- 919
ALIASES
名称与别名
SCHEMBL1352853VTJWQYCVKUHWJO-UHFFFAOYSA-N3-{[2-Cyclopropyl-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]-amino}-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester
REACTIONS
参与反应