3-Benzyl-3-(1,3-dioxol-4-ylmethyl)-1-[[4-[5-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-5-methyl-2-oxopiperidine-4,4-dicarboxylic acid;2-methyl-1-[[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-(propan-2-yloxycarbonyloxymethyl)piperidine-4,4-dicarboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 3-Benzyl-3-(1,3-dioxol-4-ylmethyl)-1-[[4-[5-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-5-methyl-2-oxopiperidine-4,4-dicarboxylic acid;2-methyl-1-[[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-(propan-2-yloxycarbonyloxymethyl)piperidine-4,4-dicarboxylic acid
• 英文别名: 3-benzyl-3-(1,3-dioxol-4-ylmethyl)-1-[[4-[5-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-5-methyl-2-oxopiperidine-4,4-dicarboxylic acid;2-methyl-1-[[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-(propan-2-yloxycarbonyloxymethyl)piperidine-4,4-dicarboxylic acid
• 化学式: C72H73FN6O16
• 分子量: 1297.4
• InChiKey: MDAKXOKOIOGJDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.48
• 重原子数：
  95
• 可旋转键数：
  24
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  305
• 氢给体数：
  4
• 氢受体数：
  22

文献信息

• NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS
  申请人：BIOPROJET

  公开号：EP2170850B1

  公开（公告）日：2014-09-24