(2S)-2-[[4-[4-[2-[[(2R)-2-[[(4S)-5-[[(2R)-1-[2-[4-[4-[[(1S)-1-carboxy-2-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]ethyl]sulfamoyl]-3,5-dimethylphenoxy]butanoylamino]ethylamino]-1-oxo-3-(trihydroxy-lambda4-sulfanyl)propan-2-yl]amino]-5-oxo-4-[[2-(4,7,10-triethyl-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]pentanoyl]amino]-3-(trihydroxy-lambda4-sulfanyl)propanoyl]amino]ethylamino]-4-oxobutoxy]-2,6-dimethylphenyl]sulfonylamino]-3-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]propanoic acid;2,2,2-trifluoroacetic 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-[2-[[(2R)-2-[[(4S)-5-[[(2R)-1-[2-[4-[4-[[(1S)-1-carboxy-2-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]ethyl]sulfamoyl]-3,5-dimethylphenoxy]butanoylamino]ethylamino]-1-oxo-3-(trihydroxy-lambda4-sulfanyl)propan-2-yl]amino]-5-oxo-4-[[2-(4,7,10-triethyl-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]pentanoyl]amino]-3-(trihydroxy-lambda4-sulfanyl)propanoyl]amino]ethylamino]-4-oxobutoxy]-2,6-dimethylphenyl]sulfonylamino]-3-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]propanoic acid;2,2,2-trifluoroacetic acid
• 英文别名: (2S)-2-[[4-[4-[2-[[(2R)-2-[[(4S)-5-[[(2R)-1-[2-[4-[4-[[(1S)-1-carboxy-2-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]ethyl]sulfamoyl]-3,5-dimethylphenoxy]butanoylamino]ethylamino]-1-oxo-3-(trihydroxy-λ4-sulfanyl)propan-2-yl]amino]-5-oxo-4-[[2-(4,7,10-triethyl-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]pentanoyl]amino]-3-(trihydroxy-λ4-sulfanyl)propanoyl]amino]ethylamino]-4-oxobutoxy]-2,6-dimethylphenyl]sulfonylamino]-3-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]propanoic acid;2,2,2-trifluoroacetic acid
• 化学式: C93H135F6N25O29S4
• 分子量: 2309.5
• InChiKey: DANOHQGLDCJEHC-YORQGFRTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.11
• 重原子数：
  157
• 可旋转键数：
  58
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  792
• 氢给体数：
  25
• 氢受体数：
  49