16,17a,78-triacetamido-19-N-[1-amino-3-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-1-oxopropan-2-yl]-75-N-[1-amino-3-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-1-oxopropan-2-yl]-47-methyl-2,8a,9,12a,13,17,18a,25,28a,29,35a,36,45,45a,49,51a,55a,58,65,65a,69,71a,72a,73a,74a,77,79a,80a,83,87,95,98-dotriacontaoxo-1a,4a,22a,25a,38,38a,41a,44,50,56,59a,62a-dodecaoxa-6,15a,32,62,80-pentathia-3,7a,10,11a,14,18,19a,24,28,29a,34a,35,44a,52a,56a,59,66,66a,70,76,84,88,94,97-tetracosazadecacyclo[94.37.37.239,42.252,55.17,10.128,31.163,66.181,84.1111,114.1149,152]octacontahecta-39,41,52,54,75a(76a),77a(78a)-hexaene-4,19,75,93-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: 16,17a,78-triacetamido-19-N-[1-amino-3-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-1-oxopropan-2-yl]-75-N-[1-amino-3-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-1-oxopropan-2-yl]-47-methyl-2,8a,9,12a,13,17,18a,25,28a,29,35a,36,45,45a,49,51a,55a,58,65,65a,69,71a,72a,73a,74a,77,79a,80a,83,87,95,98-dotriacontaoxo-1a,4a,22a,25a,38,38a,41a,44,50,56,59a,62a-dodecaoxa-6,15a,32,62,80-pentathia-3,7a,10,11a,14,18,19a,24,28,29a,34a,35,44a,52a,56a,59,66,66a,70,76,84,88,94,97-tetracosazadecacyclo[94.37.37.239,42.252,55.17,10.128,31.163,66.181,84.1111,114.1149,152]octacontahecta-39,41,52,54,75a(76a),77a(78a)-hexaene-4,19,75,93-tetracarboxamide
• 化学式: C₁₆₉H₂₄₈N₃₆O₅₈S₆
• 分子量: 3904.0
• InChiKey: JGRABNBIRPXNMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -16.1
• 重原子数：
  269
• 可旋转键数：
  148
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  1470
• 氢给体数：
  28
• 氢受体数：
  64