(2S)-2-amino-3-[[7-[(1H-imidazol-2-ylamino)methyl]-1-methyl-4-oxoquinoline-3-carbonyl]amino]propanoic acid;(2S)-2-[[4-[4-[3-[2-[2-[3-[[(2S)-2-[[2-[4,10-bis(carboxymethyl)-7-ethyl-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-3-(trihydroxy-lambda4-sulfanyl)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;2,6-dimethyl-4-[4-oxo-4-[3-[2-[2-[3-[[(2R)-3-(4-phosphonooxyphenyl)-2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]butoxy]benzenesulfinate

• 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-amino-3-[[7-[(1H-imidazol-2-ylamino)methyl]-1-methyl-4-oxoquinoline-3-carbonyl]amino]propanoic acid;(2S)-2-[[4-[4-[3-[2-[2-[3-[[(2S)-2-[[2-[4,10-bis(carboxymethyl)-7-ethyl-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-3-(trihydroxy-lambda4-sulfanyl)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;2,6-dimethyl-4-[4-oxo-4-[3-[2-[2-[3-[[(2R)-3-(4-phosphonooxyphenyl)-2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]butoxy]benzenesulfinate
• 英文别名: (2S)-2-amino-3-[[7-[(1H-imidazol-2-ylamino)methyl]-1-methyl-4-oxoquinoline-3-carbonyl]amino]propanoic acid;(2S)-2-[[4-[4-[3-[2-[2-[3-[[(2S)-2-[[2-[4,10-bis(carboxymethyl)-7-ethyl-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-3-(trihydroxy-λ4-sulfanyl)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;2,6-dimethyl-4-[4-oxo-4-[3-[2-[2-[3-[[(2R)-3-(4-phosphonooxyphenyl)-2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]butoxy]benzenesulfinate
• 化学式: C124H184N26O43PS3-
• 分子量: 2854.1
• InChiKey: JNPAUMCNRBAOSE-XYWHGQHPSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.55
• 重原子数：
  197
• 可旋转键数：
  80
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  984
• 氢给体数：
  26
• 氢受体数：
  61