tert-butyl ((S)-1-((2S,4R)-2-(((1R,2S)-1-((cyclopropylsulfonyl)-carbamoyl)-2-vinylcyclopropyl)carbamoyl)-4-((6-methylisoquinolin-1-yl)oxy)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)carbamate | 630419-57-7

• 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: tert-butyl ((S)-1-((2S,4R)-2-(((1R,2S)-1-((cyclopropylsulfonyl)-carbamoyl)-2-vinylcyclopropyl)carbamoyl)-4-((6-methylisoquinolin-1-yl)oxy)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)carbamate
• 英文别名: BOC-NH-(L-tert-BuGly)-[(4R)-(6-methyl-isoquinolin-1-oxo)-S-proline]-(1R,2S-vinyl acca)-CONHSO2-cyclopropane；tert-butyl N-[(1S)-1-[(2S,4R)-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]-4-[(6-methyl-1-isoquinolyl)oxy]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamate；tert-butyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-(6-methylisoquinolin-1-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
• CAS: 630419-57-7
• 化学式: C₃₅H₄₇N₅O₈S
• 分子量: 697.853
• InChiKey: MYKNUIUFFBHKMY-VGDKUUMWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  49
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  182
• 氢给体数：
  3
• 氢受体数：
  9