1-((R)-9-Amino-20-((R)-9-amino-4-(2,2-diphenylacetamido)-1-(4-hydroxyphenyl)-3,11,16-trioxo-2,8,10,17-tetraazanonadec-9-en-19-yl)-4-(2,2-diphenylacetamido)-1-(4-hydroxyphenyl)-3,11,16-trioxo-2,8,10,17,20-pentaazadocos-9-en-22-yl)-4-((E)-2-(1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)ethenyl)-2,6-dimethylpyridinium tris(hydrotrifluoroacetate)

• 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: 1-((R)-9-Amino-20-((R)-9-amino-4-(2,2-diphenylacetamido)-1-(4-hydroxyphenyl)-3,11,16-trioxo-2,8,10,17-tetraazanonadec-9-en-19-yl)-4-(2,2-diphenylacetamido)-1-(4-hydroxyphenyl)-3,11,16-trioxo-2,8,10,17,20-pentaazadocos-9-en-22-yl)-4-((E)-2-(1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)ethenyl)-2,6-dimethylpyridinium tris(hydrotrifluoroacetate)
• 英文别名: 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-[[6-[[N-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]carbamimidoyl]amino]-6-oxohexanoyl]amino]ethyl]amino]ethyl]-N'-[N'-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]carbamimidoyl]hexanediamide
• 化学式: C93H114N15O10+
• 分子量: 1602.0
• InChiKey: PPPZQQXEFCBGJN-YSSQDERXSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  118
• 可旋转键数：
  46
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  358
• 氢给体数：
  13
• 氢受体数：
  14