N-[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-[[8-[[N-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]carbamimidoyl]amino]-8-oxooctanoyl]amino]ethyl]amino]ethyl]-N'-[N'-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]carbamimidoyl]octanediamide

• 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-[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-[[8-[[N-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]carbamimidoyl]amino]-8-oxooctanoyl]amino]ethyl]amino]ethyl]-N'-[N'-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]carbamimidoyl]octanediamide
• 化学式: C97H122N15O10+
• 分子量: 1658.1
• InChiKey: FJKVCNJVYVDHMW-KARIZSNOSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  13.3
• 重原子数：
  122
• 可旋转键数：
  50
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  358
• 氢给体数：
  13
• 氢受体数：
  14