2-[[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]-5-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[7-(carboxymethyldisulfanyl)-3-[[3,4-dihydroxy-5-(6-hydroxy-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-3-oxo-1,5-dihydro-2,4,3lambda5-benzodioxaphosphepin-8-yl]disulfanyl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl-[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic 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-[[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]-5-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[7-(carboxymethyldisulfanyl)-3-[[3,4-dihydroxy-5-(6-hydroxy-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-3-oxo-1,5-dihydro-2,4,3lambda5-benzodioxaphosphepin-8-yl]disulfanyl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl-[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
• 英文别名: 2-[[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]-5-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[7-(carboxymethyldisulfanyl)-3-[[3,4-dihydroxy-5-(6-hydroxy-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-8-yl]disulfanyl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl-[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
• 化学式: C₇₉H₁₀₆N₁₃O₄₀P₃S₄
• 分子量: 2098.9
• InChiKey: KPZIQLNZQRACQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.1
• 重原子数：
  139
• 可旋转键数：
  63
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  802
• 氢给体数：
  13
• 氢受体数：
  47