32a,81a-Diacetamido-19,85-bis(2-acetamidobutanoylamino)-a,b,2,3a,9,10b,13,13a,16b,17b,18,18b,19b,20b,21b,22b,23a,25,27a,31,33a,35,43a,44,48,53a,56,60,60a,69,70a,73,79,80a,86,86a,90a,92-octatriacontaoxo-4b,6a,7b,9a,16a,19a,37a,40a,47a,50a,63a,66a,73a,76a,94a,97a-hexadecaoxa-6,28,30a,39,40,64,65,76,83a,90-decathia-1b,2a,3,10,11b,12a,14,17,22a,24,26a,32,34a,36,43,44a,47,54a,57,59a,61,68,69a,72,79a,80,87,87a,91a,93,99-hentriacontazanonacyclo[99.57.57.17,10.129,32.147,50.154,57.172,75.1126,129.1184,187]docosadictane-4,16,88,98-tetracarboxamide

• 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: 32a,81a-Diacetamido-19,85-bis(2-acetamidobutanoylamino)-a,b,2,3a,9,10b,13,13a,16b,17b,18,18b,19b,20b,21b,22b,23a,25,27a,31,33a,35,43a,44,48,53a,56,60,60a,69,70a,73,79,80a,86,86a,90a,92-octatriacontaoxo-4b,6a,7b,9a,16a,19a,37a,40a,47a,50a,63a,66a,73a,76a,94a,97a-hexadecaoxa-6,28,30a,39,40,64,65,76,83a,90-decathia-1b,2a,3,10,11b,12a,14,17,22a,24,26a,32,34a,36,43,44a,47,54a,57,59a,61,68,69a,72,79a,80,87,87a,91a,93,99-hentriacontazanonacyclo[99.57.57.17,10.129,32.147,50.154,57.172,75.1126,129.1184,187]docosadictane-4,16,88,98-tetracarboxamide
• 英文别名: 32a,81a-diacetamido-19,85-bis(2-acetamidobutanoylamino)-a,b,2,3a,9,10b,13,13a,16b,17b,18,18b,19b,20b,21b,22b,23a,25,27a,31,33a,35,43a,44,48,53a,56,60,60a,69,70a,73,79,80a,86,86a,90a,92-octatriacontaoxo-4b,6a,7b,9a,16a,19a,37a,40a,47a,50a,63a,66a,73a,76a,94a,97a-hexadecaoxa-6,28,30a,39,40,64,65,76,83a,90-decathia-1b,2a,3,10,11b,12a,14,17,22a,24,26a,32,34a,36,43,44a,47,54a,57,59a,61,68,69a,72,79a,80,87,87a,91a,93,99-hentriacontazanonacyclo[99.57.57.17,10.129,32.147,50.154,57.172,75.1126,129.1184,187]docosadictane-4,16,88,98-tetracarboxamide
• 化学式: C₁₈₅H₂₉₉N₄₁O₆₄S₁₀
• 分子量: 4442.0
• InChiKey: UQJICBUYOMWNKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -21
• 重原子数：
  300
• 可旋转键数：
  185
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  1710
• 氢给体数：
  34
• 氢受体数：
  74