4-[2-[(1E,3E,5E,7Z)-7-[3-[6-[4-[9-[(2-amino-4-methylsulfanylbutanoyl)amino]-39,62-bis(3-amino-3-oxopropyl)-24-benzyl-5a-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]-48,51,86,92-tetrakis(3-carbamimidamidopropyl)-17a,20a,33-tris(carboxymethyl)-27,30-bis(1-hydroxyethyl)-74-[(4-hydroxyphenyl)methyl]-36-(1H-imidazol-4-ylmethyl)-45-methyl-8a-(2-methylpropyl)-12,42-bis(2-methylsulfanylethyl)-a,3,7a,10,10a,13,15a,18a,19,21a,22,25,28,31,34,37,40,43,46,49,52,61,64,70,73,76,79,82,85,88,91,94,97-tritriacontaoxo-2a,3a,6,7,12a,13a,56,57-octathia-2,6a,9a,11,14,16a,19a,20,22a,23,26,29,32,35,38,41,44,47,50,53,60,63,69,72,75,78,81,84,87,90,93,96,99-tritriacontazahexacyclo[57.41.10.84,54.421,77.014,18.065,69]docosahectan-80-yl]butylamino]-6-oxohexyl]-1,1-dimethylbenzo[e]indol-2-ylidene]hepta-1,3,5-trienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]butane-1-sulfonate

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 4-[2-[(1E,3E,5E,7Z)-7-[3-[6-[4-[9-[(2-amino-4-methylsulfanylbutanoyl)amino]-39,62-bis(3-amino-3-oxopropyl)-24-benzyl-5a-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]-48,51,86,92-tetrakis(3-carbamimidamidopropyl)-17a,20a,33-tris(carboxymethyl)-27,30-bis(1-hydroxyethyl)-74-[(4-hydroxyphenyl)methyl]-36-(1H-imidazol-4-ylmethyl)-45-methyl-8a-(2-methylpropyl)-12,42-bis(2-methylsulfanylethyl)-a,3,7a,10,10a,13,15a,18a,19,21a,22,25,28,31,34,37,40,43,46,49,52,61,64,70,73,76,79,82,85,88,91,94,97-tritriacontaoxo-2a,3a,6,7,12a,13a,56,57-octathia-2,6a,9a,11,14,16a,19a,20,22a,23,26,29,32,35,38,41,44,47,50,53,60,63,69,72,75,78,81,84,87,90,93,96,99-tritriacontazahexacyclo[57.41.10.84,54.421,77.014,18.065,69]docosahectan-80-yl]butylamino]-6-oxohexyl]-1,1-dimethylbenzo[e]indol-2-ylidene]hepta-1,3,5-trienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]butane-1-sulfonate
• 化学式: C203H296N58O52S12
• 分子量: 4766.0
• InChiKey: LWXYOERUKGQNKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8
• 重原子数：
  325
• 可旋转键数：
  80
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  2040
• 氢给体数：
  60
• 氢受体数：
  71