3-[2-(2,2-Dimethylbutanoylamino)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;2-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]cyclohexane-1-carboxylic acid;2-[2-(2,2-dimethylbutanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid;2-[3-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]-1-adamantyl]acetic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-[2-(2,2-Dimethylbutanoylamino)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;2-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]cyclohexane-1-carboxylic acid;2-[2-(2,2-dimethylbutanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid;2-[3-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]-1-adamantyl]acetic acid
• 英文别名: 3-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;2-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]cyclohexane-1-carboxylic acid;2-[2-(2,2-dimethylbutanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid;2-[3-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyl]-1-adamantyl]acetic acid
• 化学式: C70H113N5O19
• 分子量: 1328.7
• InChiKey: GLHLXGVCJNPCGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.27
• 重原子数：
  94
• 可旋转键数：
  32
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  374
• 氢给体数：
  9
• 氢受体数：
  19