(2S)-2-[[4-[4-[2-[[(2R)-2-[[(2R)-2-[[(4S)-5-[[(2R)-1-[[(2R)-1-[2-[4-[4-[[(1S)-1-carboxy-2-[[1-methyl-4-oxo-7-[[(1-tritylimidazol-2-yl)amino]methyl]quinoline-3-carbonyl]amino]ethyl]sulfamoyl]-3,5-dimethylphenoxy]butanoylamino]ethylamino]-1-oxo-3-(trihydroxy-lambda4-sulfanyl)propan-2-yl]amino]-1-oxo-3-sulfopropan-2-yl]amino]-5-oxo-4-[[2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]amino]-3-sulfopropanoyl]amino]-3-(trihydroxy-lambda4-sulfanyl)propanoyl]amino]ethylamino]-4-oxobutoxy]-2,6-dimethylphenyl]sulfonylamino]-3-[[1-methyl-4-oxo-7-[[(1-tritylimidazol-2-yl)amino]methyl]quinoline-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: (2S)-2-[[4-[4-[2-[[(2R)-2-[[(2R)-2-[[(4S)-5-[[(2R)-1-[[(2R)-1-[2-[4-[4-[[(1S)-1-carboxy-2-[[1-methyl-4-oxo-7-[[(1-tritylimidazol-2-yl)amino]methyl]quinoline-3-carbonyl]amino]ethyl]sulfamoyl]-3,5-dimethylphenoxy]butanoylamino]ethylamino]-1-oxo-3-(trihydroxy-lambda4-sulfanyl)propan-2-yl]amino]-1-oxo-3-sulfopropan-2-yl]amino]-5-oxo-4-[[2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]amino]-3-sulfopropanoyl]amino]-3-(trihydroxy-lambda4-sulfanyl)propanoyl]amino]ethylamino]-4-oxobutoxy]-2,6-dimethylphenyl]sulfonylamino]-3-[[1-methyl-4-oxo-7-[[(1-tritylimidazol-2-yl)amino]methyl]quinoline-3-carbonyl]amino]propanoic acid
• 英文别名: (2S)-2-[[4-[4-[2-[[(2R)-2-[[(2R)-2-[[(4S)-5-[[(2R)-1-[[(2R)-1-[2-[4-[4-[[(1S)-1-carboxy-2-[[1-methyl-4-oxo-7-[[(1-tritylimidazol-2-yl)amino]methyl]quinoline-3-carbonyl]amino]ethyl]sulfamoyl]-3,5-dimethylphenoxy]butanoylamino]ethylamino]-1-oxo-3-(trihydroxy-λ4-sulfanyl)propan-2-yl]amino]-1-oxo-3-sulfopropan-2-yl]amino]-5-oxo-4-[[2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]amino]-3-sulfopropanoyl]amino]-3-(trihydroxy-λ4-sulfanyl)propanoyl]amino]ethylamino]-4-oxobutoxy]-2,6-dimethylphenyl]sulfonylamino]-3-[[1-methyl-4-oxo-7-[[(1-tritylimidazol-2-yl)amino]methyl]quinoline-3-carbonyl]amino]propanoic acid
• 化学式: C₁₄₇H₁₈₇N₂₅O₄₁S₆
• 分子量: 3152.6
• InChiKey: SLSIWMJSVPNBMO-AESOGUQISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  219
• 可旋转键数：
  79
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  963
• 氢给体数：
  25
• 氢受体数：
  55