2-[[5-[2-[2-amino-8-[[4-[[2-amino-3-oxo-3-(2-phosphonooxyethylamino)propyl]disulfanyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-[[3-[2-(dimethylamino)-2-oxoethoxy]carbonyl-4-[(2-oxo-5-phosphonooxy-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(hydroxycarbamoyl)oxan-2-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[3-[4-[4-[(4-chlorophenyl)methyl]phenyl]sulfonyl-4-(hydroxycarbamoyl)oxan-2-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethyl]phenyl]methoxycarbonyl]-4-oxo-6,7-dihydro-3H-pyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]thiophene-2-carbonyl]amino]pentanedioic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 英文名称: 2-[[5-[2-[2-amino-8-[[4-[[2-amino-3-oxo-3-(2-phosphonooxyethylamino)propyl]disulfanyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-[[3-[2-(dimethylamino)-2-oxoethoxy]carbonyl-4-[(2-oxo-5-phosphonooxy-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(hydroxycarbamoyl)oxan-2-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[3-[4-[4-[(4-chlorophenyl)methyl]phenyl]sulfonyl-4-(hydroxycarbamoyl)oxan-2-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethyl]phenyl]methoxycarbonyl]-4-oxo-6,7-dihydro-3H-pyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]thiophene-2-carbonyl]amino]pentanedioic acid
• 英文别名: 2-[[5-[2-[2-amino-8-[[4-[[2-amino-3-oxo-3-(2-phosphonooxyethylamino)propyl]disulfanyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-[[3-[2-(dimethylamino)-2-oxoethoxy]carbonyl-4-[(2-oxo-5-phosphonooxy-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(hydroxycarbamoyl)oxan-2-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[3-[4-[4-[(4-chlorophenyl)methyl]phenyl]sulfonyl-4-(hydroxycarbamoyl)oxan-2-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethyl]phenyl]methoxycarbonyl]-4-oxo-6,7-dihydro-3H-pyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]thiophene-2-carbonyl]amino]pentanedioic acid
• 化学式: C₁₅₅H₂₀₈Cl₂N₂₃O₆₄P₃S₆
• 分子量: 3773.7
• InChiKey: MPKZCGKNTOOCMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.5
• 重原子数：
  253
• 可旋转键数：
  123
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  1300
• 氢给体数：
  23
• 氢受体数：
  73