5-Pyridin-3-yl-thiophene-2-sulfonic acid {1-[2-(tert-butyl-dimethyl-silanyloxy)-5-cyano-benzyl]-2-oxo-pyrrolidin-3-(S)-yl}amide

HCID 54297977

基本情報

標準SMILES: CC(C)(C)[Si](C)(C)Oc1ccc(C#N)cc1CN1CC[C@H](NS(=O)(=O)c2ccc(-c3cccnc3)s2)C1=O
InChIKey: SCCWFQBGQSCIFG-QFIPXVFZSA-N
分子式: C27H32N4O4S2Si
平均分子量: 568.8 g/mol
単同位体質量: 568.1634244

名称と識別子

優先名称: 5-Pyridin-3-yl-thiophene-2-sulfonic acid {1-[2-(tert-butyl-dimethyl-silanyloxy)-5-cyano-benzyl]-2-oxo-pyrrolidin-3-(S)-yl}amide
IUPAC: N-[(3S)-1-[[2-[tert-butyl(dimethyl)silyl]oxy-5-cyanophenyl]methyl]-2-oxopyrrolidin-3-yl]-5-pyridin-3-ylthiophene-2-sulfonamide

名称と別名

SCCWFQBGQSCIFG-QFIPXVFZSA-N5-Pyridin-3-yl-thiophene-2-sulfonic acid {1-[2-(tert-butyl-dimethyl-silanyloxy)-5-cyano-benzyl]-2-oxo-pyrrolidin-3-(S)-yl}-amide5-Pyridin-3-yl-thiophene-2-sulfonic acid {1-[2-(tert-butyl-dimethyl-silanyloxy)-5-cyano-benzyl]-2-oxo-pyrrolidin-3-(S)-yl}amide

データベース識別子

PubChem CID: 54297977

物性

構造計算による物性

極性表面積: 149 Å²
水素結合供与体数: 1
水素結合受容体数: 8
回転可能結合数: 9
重原子数: 38
形式電荷: 0
複雑度: 1,000