2-[[4-[4-[2-[[(2S)-2-[[(2R)-2-[[(4S)-5-[[(2R)-1-[[(2S)-1-[2-[4-[4-[[1-carboxy-2-[[7-[(1H-imidazol-2-ylamino)methyl]-1-methyl-4-oxoquinoline-3-carbonyl]amino]ethyl]sulfamoyl]-3,5-dimethylphenoxy]butanoylamino]ethylamino]-1-oxobutan-2-yl]amino]-1-oxo-3-sulfopropan-2-yl]amino]-4-[[2-[4-(carboxymethyl)-7-ethyl-10-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-5-oxopentanoyl]amino]-3-sulfopropanoyl]amino]butanoyl]amino]ethylamino]-4-oxobutoxy]-2,6-dimethylphenyl]sulfonylamino]-3-[[7-[(1H-imidazol-2-ylamino)methyl]-1-methyl-4-oxoquinoline-3-carbonyl]amino]propanoic 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: 2-[[4-[4-[2-[[(2S)-2-[[(2R)-2-[[(4S)-5-[[(2R)-1-[[(2S)-1-[2-[4-[4-[[1-carboxy-2-[[7-[(1H-imidazol-2-ylamino)methyl]-1-methyl-4-oxoquinoline-3-carbonyl]amino]ethyl]sulfamoyl]-3,5-dimethylphenoxy]butanoylamino]ethylamino]-1-oxobutan-2-yl]amino]-1-oxo-3-sulfopropan-2-yl]amino]-4-[[2-[4-(carboxymethyl)-7-ethyl-10-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-5-oxopentanoyl]amino]-3-sulfopropanoyl]amino]butanoyl]amino]ethylamino]-4-oxobutoxy]-2,6-dimethylphenyl]sulfonylamino]-3-[[7-[(1H-imidazol-2-ylamino)methyl]-1-methyl-4-oxoquinoline-3-carbonyl]amino]propanoic acid
• 化学式: C₉₈H₁₃₇N₂₅O₃₁S₄
• 分子量: 2289.6
• InChiKey: PVMFLKGIKKDUKX-LVLYJRJRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -9.5
• 重原子数：
  158
• 可旋转键数：
  60
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  820
• 氢给体数：
  22
• 氢受体数：
  43