5-[3-[2-[2-[[4-[2-[2-[2-[2-[[2-[2-[[2-acetamido-3-(dimethylamino)-3-oxopropyl]disulfanyl]-5-[[2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-5,6-dimethoxy-3-oxo-1H-inden-4-yl]carbamoyloxymethyl]phenyl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-[[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]acetyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]propylamino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-[[3-[2-(dimethylamino)-2-oxoethoxy]carbonyl-4-[(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-5-oxopentanoic acid

• 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: 5-[3-[2-[2-[[4-[2-[2-[2-[2-[[2-[2-[[2-acetamido-3-(dimethylamino)-3-oxopropyl]disulfanyl]-5-[[2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-5,6-dimethoxy-3-oxo-1H-inden-4-yl]carbamoyloxymethyl]phenyl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-[[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]acetyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]propylamino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-[[3-[2-(dimethylamino)-2-oxoethoxy]carbonyl-4-[(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-5-oxopentanoic acid
• 英文别名: 5-[3-[2-[2-[[4-[2-[2-[2-[2-[[2-[2-[[2-acetamido-3-(dimethylamino)-3-oxopropyl]disulfanyl]-5-[[2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-5,6-dimethoxy-3-oxo-1H-inden-4-yl]carbamoyloxymethyl]phenyl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-[[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]acetyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]propylamino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-[[3-[2-(dimethylamino)-2-oxoethoxy]carbonyl-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-5-oxopentanoic acid
• 化学式: C₁₀₁H₁₃₃N₁₆O₃₅PS₂
• 分子量: 2226.3
• InChiKey: FBIWHICROABRPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  155
• 可旋转键数：
  71
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  703
• 氢给体数：
  12
• 氢受体数：
  40