(3aR,7S,10S,12R,24aR)-7-cyclopentyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-19-hydroxy-3a-methyl-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10H-9,12-methanocyclopenta[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoline-10-carboxamide | 1369481-86-6

• 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: (3aR,7S,10S,12R,24aR)-7-cyclopentyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-19-hydroxy-3a-methyl-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10H-9,12-methanocyclopenta[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoline-10-carboxamide
• 英文别名: (3aR,7S,10S,12R,24aR)-7-cyclopentyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-19-hydroxy-3a-methyl-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10H-9,12-methanocyclopenta [18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoline-10-carboxamide；(1R,18R,22R,26S,29S)-26-cyclopentyl-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-22-methyl-11,24,27-trioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3(12),5,7,9-tetraene-29-carboxamide
• CAS: 1369481-86-6
• 化学式: C₄₂H₅₇N₅O₉S
• 分子量: 808.009
• InChiKey: KJDAXLODVSKBOH-OAGDYQFNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  57
• 可旋转键数：
  7
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  198
• 氢给体数：
  4
• 氢受体数：
  10