5-[[1-[[9-Butan-2-yl-22-(2-carboxyethyl)-19-(2-carboxy-2-hydroxyethyl)-3-[carboxy(hydroxy)methyl]-6-(carboxymethyl)-13,17-dimethyl-2,5,8,11,15,18,21,24,27-nonaoxo-14-oxa-1,4,7,10,17,20,23,26-octazabicyclo[26.3.0]hentriacontan-12-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-[[2-[[2-methyl-3-(8-methyldeca-2,4-dienoylamino)propanoyl]amino]acetyl]amino]-5-oxopentanoic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: 5-[[1-[[9-Butan-2-yl-22-(2-carboxyethyl)-19-(2-carboxy-2-hydroxyethyl)-3-[carboxy(hydroxy)methyl]-6-(carboxymethyl)-13,17-dimethyl-2,5,8,11,15,18,21,24,27-nonaoxo-14-oxa-1,4,7,10,17,20,23,26-octazabicyclo[26.3.0]hentriacontan-12-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-[[2-[[2-methyl-3-(8-methyldeca-2,4-dienoylamino)propanoyl]amino]acetyl]amino]-5-oxopentanoic acid
• 英文别名: 5-[[1-[[9-butan-2-yl-22-(2-carboxyethyl)-19-(2-carboxy-2-hydroxyethyl)-3-[carboxy(hydroxy)methyl]-6-(carboxymethyl)-13,17-dimethyl-2,5,8,11,15,18,21,24,27-nonaoxo-14-oxa-1,4,7,10,17,20,23,26-octazabicyclo[26.3.0]hentriacontan-12-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-[[2-[[2-methyl-3-(8-methyldeca-2,4-dienoylamino)propanoyl]amino]acetyl]amino]-5-oxopentanoic acid
• 化学式: C₆₉H₉₉N₁₃O₂₈
• 分子量: 1558.6
• InChiKey: HKTPJHSXELPTFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  110
• 可旋转键数：
  33
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  634
• 氢给体数：
  19
• 氢受体数：
  28