7b,14a,16,58a,60,74b-Hexaacetamido-11a,19-bis[4-[3-[2,5-dioxo-1-[3-oxo-3-(2-sulfanylethylamino)propyl]pyrrolidin-3-yl]sulfanylpropanoylamino]butyl]-1c,2,2c,3c,4a,4c,6b,9,10a,12b,13,13a,16b,17,18a,20,25,26a,26b,29,29a,36,36b,39,39a,42b,43b,45b,49,49a,53a,55b,59,59a,65,65b,69,69a,69b,75b,79,79a,85b,86a,89,95b,96,96a-octatetracontaoxo-2b,20b,23b,30b,32a,33b,35a,42,42a,45,45a,48b,51b,52,55,58b,61b,63a,66a,73,73a,76,76a,79b,82b,83,86,89a,89b,92a,92b,99a-dotriacontaoxa-6,6a,9b,16a,32,56a,62,72b-octathia-3,3a,5b,9a,10,12a,13b,14,17b,18,19a,21,24,25a,27b,28,28a,35,37b,38,38a,44b,48,48a,52a,54b,58,60a,64b,66,68b,70,70a,76b,80,80a,85a,86b,90,95a,96b,97-dotetracontazanonacyclo[125.57.57.5737,95.17,10.128,31.163,66.1152,155.1210,213.1268,271]tetratriactane-4,8a,22,24a,34,98-hexacarboxamide

• 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: 7b,14a,16,58a,60,74b-Hexaacetamido-11a,19-bis[4-[3-[2,5-dioxo-1-[3-oxo-3-(2-sulfanylethylamino)propyl]pyrrolidin-3-yl]sulfanylpropanoylamino]butyl]-1c,2,2c,3c,4a,4c,6b,9,10a,12b,13,13a,16b,17,18a,20,25,26a,26b,29,29a,36,36b,39,39a,42b,43b,45b,49,49a,53a,55b,59,59a,65,65b,69,69a,69b,75b,79,79a,85b,86a,89,95b,96,96a-octatetracontaoxo-2b,20b,23b,30b,32a,33b,35a,42,42a,45,45a,48b,51b,52,55,58b,61b,63a,66a,73,73a,76,76a,79b,82b,83,86,89a,89b,92a,92b,99a-dotriacontaoxa-6,6a,9b,16a,32,56a,62,72b-octathia-3,3a,5b,9a,10,12a,13b,14,17b,18,19a,21,24,25a,27b,28,28a,35,37b,38,38a,44b,48,48a,52a,54b,58,60a,64b,66,68b,70,70a,76b,80,80a,85a,86b,90,95a,96b,97-dotetracontazanonacyclo[125.57.57.5737,95.17,10.128,31.163,66.1152,155.1210,213.1268,271]tetratriactane-4,8a,22,24a,34,98-hexacarboxamide
• 英文别名: 7b,14a,16,58a,60,74b-hexaacetamido-11a,19-bis[4-[3-[2,5-dioxo-1-[3-oxo-3-(2-sulfanylethylamino)propyl]pyrrolidin-3-yl]sulfanylpropanoylamino]butyl]-1c,2,2c,3c,4a,4c,6b,9,10a,12b,13,13a,16b,17,18a,20,25,26a,26b,29,29a,36,36b,39,39a,42b,43b,45b,49,49a,53a,55b,59,59a,65,65b,69,69a,69b,75b,79,79a,85b,86a,89,95b,96,96a-octatetracontaoxo-2b,20b,23b,30b,32a,33b,35a,42,42a,45,45a,48b,51b,52,55,58b,61b,63a,66a,73,73a,76,76a,79b,82b,83,86,89a,89b,92a,92b,99a-dotriacontaoxa-6,6a,9b,16a,32,56a,62,72b-octathia-3,3a,5b,9a,10,12a,13b,14,17b,18,19a,21,24,25a,27b,28,28a,35,37b,38,38a,44b,48,48a,52a,54b,58,60a,64b,66,68b,70,70a,76b,80,80a,85a,86b,90,95a,96b,97-dotetracontazanonacyclo[125.57.57.5737,95.17,10.128,31.163,66.1152,155.1210,213.1268,271]tetratriactane-4,8a,22,24a,34,98-hexacarboxamide
• 化学式: C₂₇₂H₄₄₈N₆₀O₁₀₀S₁₂
• 分子量: 6544.0
• InChiKey: XWDBEMUMYJAJKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -35.7
• 重原子数：
  444
• 可旋转键数：
  286
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  2450
• 氢给体数：
  54
• 氢受体数：
  112