2-[[2,6-dimethyl-4-[4-oxo-4-[2-[[(2S)-2-[[(2S)-2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]butanoyl]amino]butanoyl]amino]ethylamino]butoxy]phenyl]sulfonylamino]-3-[[7-[(1H-imidazol-2-ylamino)methyl]-1-methyl-4-oxoquinoline-3-carbonyl]amino]propanoic acid;3-[[7-[(1H-imidazol-2-ylamino)methyl]-1-[3-[[(2S)-2-[[(4S)-5-[[(2R)-1-[3-[7-[(1H-imidazol-2-ylamino)methyl]-4-oxo-3-[[3-oxo-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]carbamoyl]quinolin-1-yl]propylamino]-1-oxo-3-sulfopropan-2-yl]amino]-5-oxo-4-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]amino]butanoyl]amino]propyl]-4-oxoquinoline-3-carbonyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]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-[[2,6-dimethyl-4-[4-oxo-4-[2-[[(2S)-2-[[(2S)-2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]butanoyl]amino]butanoyl]amino]ethylamino]butoxy]phenyl]sulfonylamino]-3-[[7-[(1H-imidazol-2-ylamino)methyl]-1-methyl-4-oxoquinoline-3-carbonyl]amino]propanoic acid;3-[[7-[(1H-imidazol-2-ylamino)methyl]-1-[3-[[(2S)-2-[[(4S)-5-[[(2R)-1-[3-[7-[(1H-imidazol-2-ylamino)methyl]-4-oxo-3-[[3-oxo-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]carbamoyl]quinolin-1-yl]propylamino]-1-oxo-3-sulfopropan-2-yl]amino]-5-oxo-4-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]amino]butanoyl]amino]propyl]-4-oxoquinoline-3-carbonyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
• 化学式: C143H195N35O42S4
• 分子量: 3204.6
• InChiKey: FZVYAESMVWWRCH-PZPVEWPOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.31
• 重原子数：
  224
• 可旋转键数：
  80
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  1110
• 氢给体数：
  30
• 氢受体数：
  62