3-[73-(4-Aminobutyl)-34,70-dibenzyl-2,5,8,11,14,17,20,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86-heptacosahydroxy-37,49,55,82-tetrakis(1-hydroxyethyl)-76-(2-hydroxy-2-iminoethyl)-64-(3-hydroxy-3-iminopropyl)-10,58,61-tris(hydroxymethyl)-16-[(4-hydroxyphenyl)methyl]-85-methyl-22-(2-methylpropyl)-23-oxo-19,40-di(propan-2-yl)-89,90,93,94,97,98-hexathia-3,6,9,12,15,18,21,24,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87-octacosazapentacyclo[44.41.4.413,52.431,67.024,28]nonanonaconta-2,5,8,11,14,17,20,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86-heptacosaen-7-yl]propanoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 3-[73-(4-Aminobutyl)-34,70-dibenzyl-2,5,8,11,14,17,20,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86-heptacosahydroxy-37,49,55,82-tetrakis(1-hydroxyethyl)-76-(2-hydroxy-2-iminoethyl)-64-(3-hydroxy-3-iminopropyl)-10,58,61-tris(hydroxymethyl)-16-[(4-hydroxyphenyl)methyl]-85-methyl-22-(2-methylpropyl)-23-oxo-19,40-di(propan-2-yl)-89,90,93,94,97,98-hexathia-3,6,9,12,15,18,21,24,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87-octacosazapentacyclo[44.41.4.413,52.431,67.024,28]nonanonaconta-2,5,8,11,14,17,20,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86-heptacosaen-7-yl]propanoic acid
• 英文别名: 3-[73-(4-aminobutyl)-34,70-dibenzyl-2,5,8,11,14,17,20,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86-heptacosahydroxy-37,49,55,82-tetrakis(1-hydroxyethyl)-76-(2-hydroxy-2-iminoethyl)-64-(3-hydroxy-3-iminopropyl)-10,58,61-tris(hydroxymethyl)-16-[(4-hydroxyphenyl)methyl]-85-methyl-22-(2-methylpropyl)-23-oxo-19,40-di(propan-2-yl)-89,90,93,94,97,98-hexathia-3,6,9,12,15,18,21,24,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87-octacosazapentacyclo[44.41.4.413,52.431,67.024,28]nonanonaconta-2,5,8,11,14,17,20,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86-heptacosaen-7-yl]propanoic acid
• 化学式: C₁₂₀H₁₇₇N₃₁O₄₀S₆
• 分子量: 2886.3
• InChiKey: HLXPUKTVQPHDNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8.6
• 重原子数：
  197
• 可旋转键数：
  29
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  1270
• 氢给体数：
  39
• 氢受体数：
  47