2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-5-[2-[2-[2-[2-[[2-[2-[[2-[2-[2-[2-[2-[2-[2-[4-[[1-carboxy-2-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]ethyl]sulfamoyl]phenoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl-[2-[2-[2-[3-[4-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(hydroxycarbamoyl)piperidin-1-yl]propanoylamino]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxymethyl-hydroxyphosphoryl]methoxy]ethoxy]acetyl]-[2-[2-[2-[[2-[2-[N-[2-[4-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethoxy]carbonyl-2-[[3-(dimethylamino)-3-oxopropyl]disulfanyl]anilino]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 蒽环类药物
• 英文名称: 2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-5-[2-[2-[2-[2-[[2-[2-[[2-[2-[2-[2-[2-[2-[2-[4-[[1-carboxy-2-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]ethyl]sulfamoyl]phenoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl-[2-[2-[2-[3-[4-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(hydroxycarbamoyl)piperidin-1-yl]propanoylamino]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxymethyl-hydroxyphosphoryl]methoxy]ethoxy]acetyl]-[2-[2-[2-[[2-[2-[N-[2-[4-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethoxy]carbonyl-2-[[3-(dimethylamino)-3-oxopropyl]disulfanyl]anilino]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
• 英文别名: 2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-5-[2-[2-[2-[2-[[2-[2-[[2-[2-[2-[2-[2-[2-[2-[4-[[1-carboxy-2-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]ethyl]sulfamoyl]phenoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl-[2-[2-[2-[3-[4-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(hydroxycarbamoyl)piperidin-1-yl]propanoylamino]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxymethyl-hydroxyphosphoryl]methoxy]ethoxy]acetyl]-[2-[2-[2-[[2-[2-[N-[2-[4-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethoxy]carbonyl-2-[[3-(dimethylamino)-3-oxopropyl]disulfanyl]anilino]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
• 化学式: C₁₆₇H₂₁₂ClN₂₅O₆₃P₂S₄
• 分子量: 3803.0
• InChiKey: YNHLBEXBPNRFKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2
• 重原子数：
  262
• 可旋转键数：
  120
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  1210
• 氢给体数：
  21
• 氢受体数：
  74