(1aS,5S,8S,10R,22aS)-5-cyclopentyl-N-[(1R,2S)-1-({[(1-methylcyclopropyl)sulfonyl]amino}carbonyl)-2-vinylcyclopropyl]-13-methoxy-1a-methyl-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide | 1369481-71-9

• 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: (1aS,5S,8S,10R,22aS)-5-cyclopentyl-N-[(1R,2S)-1-({[(1-methylcyclopropyl)sulfonyl]amino}carbonyl)-2-vinylcyclopropyl]-13-methoxy-1a-methyl-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide
• 英文别名: (1R,18S,20S,24S,27S)-24-cyclopentyl-N-[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-6-methoxy-20-methyl-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxamide
• CAS: 1369481-71-9
• 化学式: C₄₁H₅₄N₆O₉S
• 分子量: 806.981
• InChiKey: RFMUTFZPVJMGMS-JIJRTXHASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  57
• 可旋转键数：
  8
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  204
• 氢给体数：
  3
• 氢受体数：
  11