(2S)-2-[[4-[4-[3-[2-[2-[3-[[(2R)-2-[[2-[4,10-bis(carboxymethyl)-7-ethyl-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-5-[2-[3,5-dihydroxy-4-(trihydroxy-lambda4-sulfanyl)-6-[(trihydroxy-lambda4-sulfanyl)methyl]oxan-2-yl]oxyethylamino]-5-oxopentanoyl]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)-2-[[4-[4-[3-[2-[2-[3-[[(2R)-2-[[2-[4,10-bis(carboxymethyl)-7-ethyl-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-3-[4-(trihydroxy-lambda4-sulfanyl)oxyphenyl]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

• 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-[[(2R)-2-[[2-[4,10-bis(carboxymethyl)-7-ethyl-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-5-[2-[3,5-dihydroxy-4-(trihydroxy-lambda4-sulfanyl)-6-[(trihydroxy-lambda4-sulfanyl)methyl]oxan-2-yl]oxyethylamino]-5-oxopentanoyl]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)-2-[[4-[4-[3-[2-[2-[3-[[(2R)-2-[[2-[4,10-bis(carboxymethyl)-7-ethyl-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-3-[4-(trihydroxy-lambda4-sulfanyl)oxyphenyl]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
• 英文别名: (2S)-2-[[4-[4-[3-[2-[2-[3-[[(2R)-2-[[2-[4,10-bis(carboxymethyl)-7-ethyl-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-5-[2-[3,5-dihydroxy-4-(trihydroxy-λ4-sulfanyl)-6-[(trihydroxy-λ4-sulfanyl)methyl]oxan-2-yl]oxyethylamino]-5-oxopentanoyl]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)-2-[[4-[4-[3-[2-[2-[3-[[(2R)-2-[[2-[4,10-bis(carboxymethyl)-7-ethyl-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-3-[4-(trihydroxy-λ4-sulfanyl)oxyphenyl]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
• 化学式: C134H205N27O49S5
• 分子量: 3138.5
• InChiKey: RAMBNLIBFWCAHO-RELSFEIBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.47
• 重原子数：
  215
• 可旋转键数：
  90
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  1070
• 氢给体数：
  32
• 氢受体数：
  68