6-[4-[2-amino-3-[[1-[[(2R)-1-[[(2R)-1-[[6-amino-1-[[(2R)-1-[(1-amino-4-carboxy-1-oxobutan-2-yl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]triazol-1-yl]-2-[[(2S)-2-[[5-amino-2-[[2-[[(2S)-2-[[(7S,10S,13S,16S,19S,22S,25S,31S,34S)-28-[(2S)-butan-2-yl]-34-[2-[[(2S)-1-[(2S)-4-carboxy-2-[[(2S)-2,3-dimethylbutanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]prop-2-enoylamino]-7,13-bis(2-carboxyethyl)-31-(carboxymethyl)-25-(1H-imidazol-5-ylmethyl)-10,16-bis(1H-indol-3-ylmethyl)-19-(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-22-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carbonyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 6-[4-[2-amino-3-[[1-[[(2R)-1-[[(2R)-1-[[6-amino-1-[[(2R)-1-[(1-amino-4-carboxy-1-oxobutan-2-yl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]triazol-1-yl]-2-[[(2S)-2-[[5-amino-2-[[2-[[(2S)-2-[[(7S,10S,13S,16S,19S,22S,25S,31S,34S)-28-[(2S)-butan-2-yl]-34-[2-[[(2S)-1-[(2S)-4-carboxy-2-[[(2S)-2,3-dimethylbutanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]prop-2-enoylamino]-7,13-bis(2-carboxyethyl)-31-(carboxymethyl)-25-(1H-imidazol-5-ylmethyl)-10,16-bis(1H-indol-3-ylmethyl)-19-(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-22-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carbonyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid
• 化学式: C₁₅₂H₂₁₉N₃₉O₄₂S₃
• 分子量: 3360.8
• InChiKey: GVLPAIRNYVORHC-MYOUTIATSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -9
• 重原子数：
  236
• 可旋转键数：
  88
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  1370
• 氢给体数：
  43
• 氢受体数：
  52

文献信息

• US8710180B2
  申请人：——

  公开号：US8710180B2

  公开（公告）日：2014-04-29