2-[1,3-Dihydroisoindol-2-yl-[2-(1-phenylpentan-3-ylamino)propanoyl]amino]acetic acid;1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid;6-oxo-7-(1-phenylpentan-3-ylamino)-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid;2-[6-oxo-7-(1-phenylpentan-3-ylamino)-5,7,8,9-tetrahydrobenzo[7]annulen-5-yl]acetic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[1,3-Dihydroisoindol-2-yl-[2-(1-phenylpentan-3-ylamino)propanoyl]amino]acetic acid;1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid;6-oxo-7-(1-phenylpentan-3-ylamino)-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid;2-[6-oxo-7-(1-phenylpentan-3-ylamino)-5,7,8,9-tetrahydrobenzo[7]annulen-5-yl]acetic acid
• 英文别名: 2-[1,3-dihydroisoindol-2-yl-[2-(1-phenylpentan-3-ylamino)propanoyl]amino]acetic acid;1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid;6-oxo-7-(1-phenylpentan-3-ylamino)-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid;2-[6-oxo-7-(1-phenylpentan-3-ylamino)-5,7,8,9-tetrahydrobenzo[7]annulen-5-yl]acetic acid
• 化学式: C79H108N8O12
• 分子量: 1361.7
• InChiKey: UNMHMRXDQIKWGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.9
• 重原子数：
  99
• 可旋转键数：
  28
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  270
• 氢给体数：
  7
• 氢受体数：
  17