(1R,4S,7R,12R,15S,18S,21S,27S,30S,36S,39R,47S,50S,53S,56S,59R,66S,69S,72R,78S,83S,86S,89S)-15-(4-aminobutyl)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-47-(2-amino-2-oxoethyl)-83-(3-amino-3-oxopropyl)-56-benzyl-36,89-bis[3-(diaminomethylideneamino)propyl]-69-[(1R)-1-hydroxyethyl]-66-[[4-[2-(2-hydroxyethylsulfinyl)ethoxy]phenyl]methyl]-18-(hydroxymethyl)-53-(1H-imidazol-5-ylmethyl)-4,78-dimethyl-21,27,30,50,86-pentakis(2-methylpropyl)-2,5,13,16,19,22,25,28,31,34,37,45,48,51,54,57,65,68,71,77,80,81,84,87,90-pentacosaoxo-9,10,41,42,61,62-hexathia-3,6,14,17,20,23,26,29,32,35,38,46,49,52,55,58,64,67,70,76,79,82,85,88,91-pentacosazatetracyclo[37.24.17.1112,59.072,76]hennonacontane-7-carboxamide

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: (1R,4S,7R,12R,15S,18S,21S,27S,30S,36S,39R,47S,50S,53S,56S,59R,66S,69S,72R,78S,83S,86S,89S)-15-(4-aminobutyl)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-47-(2-amino-2-oxoethyl)-83-(3-amino-3-oxopropyl)-56-benzyl-36,89-bis[3-(diaminomethylideneamino)propyl]-69-[(1R)-1-hydroxyethyl]-66-[[4-[2-(2-hydroxyethylsulfinyl)ethoxy]phenyl]methyl]-18-(hydroxymethyl)-53-(1H-imidazol-5-ylmethyl)-4,78-dimethyl-21,27,30,50,86-pentakis(2-methylpropyl)-2,5,13,16,19,22,25,28,31,34,37,45,48,51,54,57,65,68,71,77,80,81,84,87,90-pentacosaoxo-9,10,41,42,61,62-hexathia-3,6,14,17,20,23,26,29,32,35,38,46,49,52,55,58,64,67,70,76,79,82,85,88,91-pentacosazatetracyclo[37.24.17.1112,59.072,76]hennonacontane-7-carboxamide
• 化学式: C₁₃₀H₂₀₈N₃₈O₃₄S₇
• 分子量: 3071.7
• InChiKey: UOZVVBXEDSMCTI-GUTMBJCZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.5
• 重原子数：
  209
• 可旋转键数：
  45
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  1320
• 氢给体数：
  37
• 氢受体数：
  45