3-[[1-[3-[[4-[3-[3-[[4-[[2-[4,7-bis(carboxymethyl)-10-(2,2-dihydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-5-[3-[3-[[4-[3-[7-[(1H-imidazol-2-ylamino)methyl]-4-oxo-3-[[3-oxo-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]carbamoyl]quinolin-1-yl]propylamino]-4-oxobutanoyl]amino]propoxy]propylamino]-5-oxopentanoyl]amino]propoxy]propylamino]-4-oxobutanoyl]amino]propyl]-7-[(1H-imidazol-2-ylamino)methyl]-4-oxoquinoline-3-carbonyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid;2-[[4-[4-[3-[2-[2-[3-[[(2R)-2-[[2-[4,7-bis(carboxymethyl)-10-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]butanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutoxy]-2,6-dimethylphenyl]sulfonylamino]-3-[[7-[(1H-imidazol-2-ylamino)methyl]-1-methyl-4-oxoquinoline-3-carbonyl]amino]propanoic acid;(3R)-4-[[(2R)-3-carboxy-1-[3-[3-[[4-[3-[7-[(1H-imidazol-2-ylamino)methyl]-4-oxo-3-[[3-oxo-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]carbamoyl]quinolin-1-yl]propylamino]-4-oxobutanoyl]amino]propoxy]propylamino]-1-oxopropan-2-yl]amino]-3-[[2-[4-(carboxymethyl)-7,10-bis(hydroxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-4-oxobutanoic acid;2-[[4-[4-[3-[2-[2-[3-[[(2R)-2-[[2-[4-(carboxymethyl)-10-ethyl-7-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-3-(4-phosphanyloxyphenyl)propanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutoxy]-2,6-dimethylphenyl]sulfonylamino]-3-[[7-[(1H-imidazol-2-ylamino)methyl]-1-methyl-4-oxoquinoline-3-carbonyl]amino]propanoic acid;methanol

• 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: 3-[[1-[3-[[4-[3-[3-[[4-[[2-[4,7-bis(carboxymethyl)-10-(2,2-dihydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-5-[3-[3-[[4-[3-[7-[(1H-imidazol-2-ylamino)methyl]-4-oxo-3-[[3-oxo-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]carbamoyl]quinolin-1-yl]propylamino]-4-oxobutanoyl]amino]propoxy]propylamino]-5-oxopentanoyl]amino]propoxy]propylamino]-4-oxobutanoyl]amino]propyl]-7-[(1H-imidazol-2-ylamino)methyl]-4-oxoquinoline-3-carbonyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid;2-[[4-[4-[3-[2-[2-[3-[[(2R)-2-[[2-[4,7-bis(carboxymethyl)-10-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]butanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutoxy]-2,6-dimethylphenyl]sulfonylamino]-3-[[7-[(1H-imidazol-2-ylamino)methyl]-1-methyl-4-oxoquinoline-3-carbonyl]amino]propanoic acid;(3R)-4-[[(2R)-3-carboxy-1-[3-[3-[[4-[3-[7-[(1H-imidazol-2-ylamino)methyl]-4-oxo-3-[[3-oxo-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]carbamoyl]quinolin-1-yl]propylamino]-4-oxobutanoyl]amino]propoxy]propylamino]-1-oxopropan-2-yl]amino]-3-[[2-[4-(carboxymethyl)-7,10-bis(hydroxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-4-oxobutanoic acid;2-[[4-[4-[3-[2-[2-[3-[[(2R)-2-[[2-[4-(carboxymethyl)-10-ethyl-7-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-3-(4-phosphanyloxyphenyl)propanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutoxy]-2,6-dimethylphenyl]sulfonylamino]-3-[[7-[(1H-imidazol-2-ylamino)methyl]-1-methyl-4-oxoquinoline-3-carbonyl]amino]propanoic acid;methanol
• 化学式: C287H423N64O80PS5
• 分子量: 6241.0
• InChiKey: WVDQFDMUUBYDJQ-HDWYPSCOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.94
• 重原子数：
  437
• 可旋转键数：
  179
• 环数：
  25.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  1980
• 氢给体数：
  55
• 氢受体数：
  116