(-) H-Ala-Ala-Pro-Ala-Ala-OMe*HCl | 133898-28-9

• 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: (-) H-Ala-Ala-Pro-Ala-Ala-OMe*HCl
• 英文别名: methyl (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoate;hydrochloride
• CAS: 133898-28-9
• 化学式: C₁₈H₃₁N₅O₆*ClH
• 分子量: 449.935
• InChiKey: JHQUUUJPDRPLFM-SWCKNIAISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.57
• 重原子数：
  30.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  159.93
• 氢给体数：
  4.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (-) H-Ala-Ala-Pro-Ala-Ala-OMe*HCl 、 去氢胆红素 生成 biliverdin-IXα bis(alanyl-alanyl-prolyl-alanyl-alanine methyl ester)
  参考文献：
  名称：

  Conformation control of bilatrienes by peptides: A survey

  摘要：

  A variety of bilipeptides has been synthesized and investigated by UV-VIS and CD spectroscopy to explore the conformational influence of peptide ligands on the covalently bound tetrapyrrol moiety. The results obtained are complemented by those reported previously. From the comprehensive data thus available several features of the peptide chain regulating interactions with the bilatriene moiety have been elucidated. Accordingly, the presence of three amide linkages at the ligand is prerequiste for induction of pronounced conformational changes consisting either in a complete transition of M into P helical bilatriene species by inversion of all torsional angles, or in a stretching of the chromophore. The kind of conformational influence can be controlled by varying the position of the prolyl entity within a given peptide.

  DOI：

  10.1007/bf00815170

文献信息

• KROIS, DANIEL;LEHNER, HARALD, MONATSH. CHEM., 122,(1991) N-2, C. 89-100
  作者：KROIS, DANIEL、LEHNER, HARALD

  DOI：——

  日期：——