(2S)-3-[[1-[3-[[(2R)-2-[[(4S)-5-[[(2R)-1-[2-[3-[[(2S)-2-carboxy-2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]carbamoyl]-7-[(1H-imidazol-2-ylamino)methyl]-4-oxoquinolin-1-yl]ethylamino]-1-oxo-3-sulfopropan-2-yl]amino]-5-oxo-4-[[2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]amino]-3-(trihydroxy-lambda4-sulfanyl)propanoyl]amino]propyl]-7-[(1H-imidazol-2-ylamino)methyl]-4-oxoquinoline-3-carbonyl]amino]-2-[(2,6-dimethylphenyl)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)-3-[[1-[3-[[(2R)-2-[[(4S)-5-[[(2R)-1-[2-[3-[[(2S)-2-carboxy-2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]carbamoyl]-7-[(1H-imidazol-2-ylamino)methyl]-4-oxoquinolin-1-yl]ethylamino]-1-oxo-3-sulfopropan-2-yl]amino]-5-oxo-4-[[2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]amino]-3-(trihydroxy-lambda4-sulfanyl)propanoyl]amino]propyl]-7-[(1H-imidazol-2-ylamino)methyl]-4-oxoquinoline-3-carbonyl]amino]-2-[(2,6-dimethylphenyl)sulfonylamino]propanoic acid
• 英文别名: (2S)-3-[[1-[3-[[(2R)-2-[[(4S)-5-[[(2R)-1-[2-[3-[[(2S)-2-carboxy-2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]carbamoyl]-7-[(1H-imidazol-2-ylamino)methyl]-4-oxoquinolin-1-yl]ethylamino]-1-oxo-3-sulfopropan-2-yl]amino]-5-oxo-4-[[2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]amino]-3-(trihydroxy-λ4-sulfanyl)propanoyl]amino]propyl]-7-[(1H-imidazol-2-ylamino)methyl]-4-oxoquinoline-3-carbonyl]amino]-2-[(2,6-dimethylphenyl)sulfonylamino]propanoic acid
• 化学式: C₉₅H₁₃₃N₂₁O₂₉S₄
• 分子量: 2161.5
• InChiKey: OZAREAVODHSBMI-CDPWIFDTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.1
• 重原子数：
  149
• 可旋转键数：
  54
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  726
• 氢给体数：
  19
• 氢受体数：
  42