(4S)-5-[[(2S)-1-[[(4R,7R,13S,16S,19S,22S,25S,28R)-4-[[(2R,3R)-1-[[(2S)-6-acetamido-1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-19-[(2S)-butan-2-yl]-22-[(4-hydroxyphenyl)methyl]-7,25-bis(1H-imidazol-5-ylmethyl)-10,10-dimethyl-13-(2-methylpropyl)-6,9,12,15,18,21,24,27-octaoxo-16-[4-[[2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetyl]amino]butyl]-1,2-dithia-5,8,11,14,17,20,23,26-octazacyclononacos-28-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]-methylamino]-5-oxopentanoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: (4S)-5-[[(2S)-1-[[(4R,7R,13S,16S,19S,22S,25S,28R)-4-[[(2R,3R)-1-[[(2S)-6-acetamido-1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-19-[(2S)-butan-2-yl]-22-[(4-hydroxyphenyl)methyl]-7,25-bis(1H-imidazol-5-ylmethyl)-10,10-dimethyl-13-(2-methylpropyl)-6,9,12,15,18,21,24,27-octaoxo-16-[4-[[2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetyl]amino]butyl]-1,2-dithia-5,8,11,14,17,20,23,26-octazacyclononacos-28-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]-methylamino]-5-oxopentanoic acid
• 化学式: C₁₁₆H₁₆₈N₂₈O₃₂S₂
• 分子量: 2530.9
• InChiKey: XZZZULWTZVXHQA-LUWKCUQHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  178
• 可旋转键数：
  59
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  944
• 氢给体数：
  28
• 氢受体数：
  36