[(3R,5S)-1-acetyl-5-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]pyrrolidin-3-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(1R,2S)-1-[(cyclopropyl-methylidene-oxo-lambda6-sulfanyl)carbamoyl]-2-ethenylcyclopropyl]carbamoyl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidin-3-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate

• 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: [(3R,5S)-1-acetyl-5-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]pyrrolidin-3-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(1R,2S)-1-[(cyclopropyl-methylidene-oxo-lambda6-sulfanyl)carbamoyl]-2-ethenylcyclopropyl]carbamoyl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidin-3-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate
• 英文别名: [(3R,5S)-1-acetyl-5-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]pyrrolidin-3-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate;[(3R,5S)-5-[[(1R,2S)-1-[(cyclopropyl-methylidene-oxo-λ6-sulfanyl)carbamoyl]-2-ethenylcyclopropyl]carbamoyl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidin-3-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate
• 化学式: C56H69F2N9O15S2
• 分子量: 1210.3
• InChiKey: NLYFBQIFPQGZOH-KKWJWBIZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.68
• 重原子数：
  84
• 可旋转键数：
  20
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  322
• 氢给体数：
  5
• 氢受体数：
  17