(2S)-2-[[4-[4-[3-[2-[2-[3-[[(2S)-2-[[2-[4,7-bis(carboxymethyl)-10-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;(2S)-3-[[7-[(1H-imidazol-2-ylamino)methyl]-1-[3-[[4-[3-[3-[[(4S)-5-[3-[3-[[4-[3-[7-[(1H-imidazol-2-ylamino)methyl]-4-oxo-3-[[(2S)-3-oxo-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]carbamoyl]quinolin-1-yl]propylamino]-4-oxobutanoyl]amino]propoxy]propylamino]-5-oxo-4-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]amino]propoxy]propylamino]-4-oxobutanoyl]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: (2S)-2-[[4-[4-[3-[2-[2-[3-[[(2S)-2-[[2-[4,7-bis(carboxymethyl)-10-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;(2S)-3-[[7-[(1H-imidazol-2-ylamino)methyl]-1-[3-[[4-[3-[3-[[(4S)-5-[3-[3-[[4-[3-[7-[(1H-imidazol-2-ylamino)methyl]-4-oxo-3-[[(2S)-3-oxo-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]carbamoyl]quinolin-1-yl]propylamino]-4-oxobutanoyl]amino]propoxy]propylamino]-5-oxo-4-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]amino]propoxy]propylamino]-4-oxobutanoyl]amino]propyl]-4-oxoquinoline-3-carbonyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
• 英文别名: (2S)-2-[[4-[4-[3-[2-[2-[3-[[(2S)-2-[[2-[4,7-bis(carboxymethyl)-10-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;(2S)-3-[[7-[(1H-imidazol-2-ylamino)methyl]-1-[3-[[4-[3-[3-[[(4S)-5-[3-[3-[[4-[3-[7-[(1H-imidazol-2-ylamino)methyl]-4-oxo-3-[[(2S)-3-oxo-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]carbamoyl]quinolin-1-yl]propylamino]-4-oxobutanoyl]amino]propoxy]propylamino]-5-oxo-4-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]amino]propoxy]propylamino]-4-oxobutanoyl]amino]propyl]-4-oxoquinoline-3-carbonyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
• 化学式: C159H230N36O46S4
• 分子量: 3510.0
• InChiKey: UWXDDCHZPPOLCB-UCBHIODKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.73
• 重原子数：
  245
• 可旋转键数：
  103
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  1150
• 氢给体数：
  32
• 氢受体数：
  67