(3S)-3-[[(2S)-5-amino-2-[[(2S)-2-[[(1R,4S,7S,10S,13S,16S,19S,22S,25R,28S,31R,36R,39S,42S,45S)-31-amino-7,22-bis(4-aminobutyl)-39-benzyl-4-(2-carboxyethyl)-10,19-bis(carboxymethyl)-13-[(1R)-1-hydroxyethyl]-28-(hydroxymethyl)-42-[(4-hydroxyphenyl)methyl]-45-(2-methylpropyl)-16-(2-methylsulfanylethyl)-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecazabicyclo[23.22.4]henpentacontane-36-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-4-[[(2S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid | 120972-53-4

• 物质功能分类: 生物化工 - 提取物 - 动物提取物
• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: (3S)-3-[[(2S)-5-amino-2-[[(2S)-2-[[(1R,4S,7S,10S,13S,16S,19S,22S,25R,28S,31R,36R,39S,42S,45S)-31-amino-7,22-bis(4-aminobutyl)-39-benzyl-4-(2-carboxyethyl)-10,19-bis(carboxymethyl)-13-[(1R)-1-hydroxyethyl]-28-(hydroxymethyl)-42-[(4-hydroxyphenyl)methyl]-45-(2-methylpropyl)-16-(2-methylsulfanylethyl)-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecazabicyclo[23.22.4]henpentacontane-36-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-4-[[(2S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
• CAS: 120972-53-4
• 化学式: C₁₁₀H₁₅₉N₂₇O₃₄S₅
• 分子量: 2563.9
• InChiKey: ZHRYDGYRZIWZPS-RAALVGGVSA-N

物化性质

• 沸点：
  2570.1±65.0 °C(Predicted)
• 密度：
  1.298±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -9.9
• 重原子数：
  176
• 可旋转键数：
  51
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  1120
• 氢给体数：
  34
• 氢受体数：
  43

安全信息

• WGK Germany：
  3