1-[[8-[[2-[2-[3-[2-[2-[2-[[4-[2-[2-[3-[[4-[[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]-4-carboxybutanoyl]amino]propoxy]ethoxy]ethylamino]-2-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]ethylamino]-2-oxoethyl]disulfanyl]-7-(carboxymethyldisulfanyl)-3-oxo-1,5-dihydro-2,4,3lambda5-benzodioxaphosphepin-3-yl]oxymethyl]-6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-1-ium-4-carboxylic 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: 1-[[8-[[2-[2-[3-[2-[2-[2-[[4-[2-[2-[3-[[4-[[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]-4-carboxybutanoyl]amino]propoxy]ethoxy]ethylamino]-2-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]ethylamino]-2-oxoethyl]disulfanyl]-7-(carboxymethyldisulfanyl)-3-oxo-1,5-dihydro-2,4,3lambda5-benzodioxaphosphepin-3-yl]oxymethyl]-6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-1-ium-4-carboxylic acid
• 英文别名: 1-[[8-[[2-[2-[3-[2-[2-[2-[[4-[2-[2-[3-[[4-[[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]-4-carboxybutanoyl]amino]propoxy]ethoxy]ethylamino]-2-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]ethylamino]-2-oxoethyl]disulfanyl]-7-(carboxymethyldisulfanyl)-3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl]oxymethyl]-6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-1-ium-4-carboxylic acid
• 化学式: C103H123F2N14O39P2S4+
• 分子量: 2409.4
• InChiKey: DOZIYUZDEAWFJQ-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  164
• 可旋转键数：
  76
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  806
• 氢给体数：
  13
• 氢受体数：
  48