N-[4-[2-[2-[4-[(E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-2,6-dimethylpyridin-1-ium-1-yl]ethyl-[2-[4-[[5-[[N-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]carbamimidoyl]amino]-5-oxopentanoyl]amino]butanoylamino]ethyl]amino]ethylamino]-4-oxobutyl]-N'-[N'-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]carbamimidoyl]pentanediamide

• 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: N-[4-[2-[2-[4-[(E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-2,6-dimethylpyridin-1-ium-1-yl]ethyl-[2-[4-[[5-[[N-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]carbamimidoyl]amino]-5-oxopentanoyl]amino]butanoylamino]ethyl]amino]ethylamino]-4-oxobutyl]-N'-[N'-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]carbamimidoyl]pentanediamide
• 化学式: C99H124N17O12+
• 分子量: 1744.1
• InChiKey: JOWDGVTUBFGPLJ-KARIZSNOSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  128
• 可旋转键数：
  52
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  416
• 氢给体数：
  15
• 氢受体数：
  16