(2S)-N-[(1S,2R)-3-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-1-benzyl-2-hydroxy-propyl]-2-(quinoline-2-carbonylamino)butanediamide; 6-benzyl-1-(ethoxymethyl)-5-isopropyl-pyrimidine-2,4-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (2S)-N-[(1S,2R)-3-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-1-benzyl-2-hydroxy-propyl]-2-(quinoline-2-carbonylamino)butanediamide; 6-benzyl-1-(ethoxymethyl)-5-isopropyl-pyrimidine-2,4-dione
• 英文别名: (2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide;6-benzyl-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
• 化学式: C55H72N8O8
• 分子量: 973.2
• InChiKey: GDDPEVLFSHPYBF-YOXDLBRISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.34
• 重原子数：
  71
• 可旋转键数：
  19
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  225
• 氢给体数：
  6
• 氢受体数：
  10

文献信息

• Pharmaceutical Antiretroviral Composition
  申请人：Cipla Limited

  公开号：US20180250271A1

  公开（公告）日：2018-09-06

  A pharmaceutical composition comprises at least one integrase inhibitor or its salt, solvate, complex, hydrate, isomer, ester, tautomer, anhydrate, enantiomer, polymorph or prodrug and at least one antiretroviral or anti-HIV agent or its salt, solvate, complex, hydrate, isomer, ester, tautomer, anhydrate, enantiomer, polymorph or prodrug.