(AlaS,PheS,AspS)-N-9-fluorenylmethyloxycarbonyl-alanyl-phenylalanyl-β-(2-trimethylsilylethyl)-α-methyl-aspartate | 310904-86-0

• 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: (AlaS,PheS,AspS)-N-9-fluorenylmethyloxycarbonyl-alanyl-phenylalanyl-β-(2-trimethylsilylethyl)-α-methyl-aspartate
• CAS: 310904-86-0
• 化学式: C₃₇H₄₅N₃O₈Si
• 分子量: 687.865
• InChiKey: RYWISRJGKYCROI-WGFGNGDISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.57
• 重原子数：
  49.0
• 可旋转键数：
  15.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  149.13
• 氢给体数：
  3.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  (AlaS,PheS,AspS)-N-9-fluorenylmethyloxycarbonyl-alanyl-phenylalanyl-β-(2-trimethylsilylethyl)-α-methyl-aspartate 在 4-氨甲基哌啶 作用下， 以 氯仿 为溶剂， 以98%的产率得到(AlaS,PheS,AspS)-alanyl-phenylalanyl-β-(2-trimethylsilylethyl)-α-methyl-aspartate
  参考文献：
  名称：

  Synthesis of a Model for Phycocyanin with Respect to the Acid-Base Chemistry between Protein and Chromophore

  摘要：

  Earlier investigations have shown that the cysteine adduct of phycocyanobilin dimethylester qualifies for intramolecular protonation [1]. In this context, the -Cys-Ala-Phe-Asp-tetrapeptide adduct of phycocyanobilin dimethylester was synthesized and examined for its protonation properties with respect to the zwitterionic interaction between chromophore and protein.

  DOI：

  10.1007/s007060070065
• 作为产物：
  描述：

  (S)-N-benzyloxycarbonyl-β-(2-trimethylsilylethyl)-α-methyl-aspartate 在 palladium on activated charcoal 氢气 、 sodium carbonate 、 4-氨甲基哌啶 作用下， 以 氯仿 、 异丙醇 为溶剂， 反应 2.17h， 生成 (AlaS,PheS,AspS)-N-9-fluorenylmethyloxycarbonyl-alanyl-phenylalanyl-β-(2-trimethylsilylethyl)-α-methyl-aspartate
  参考文献：
  名称：

  Synthesis of a Model for Phycocyanin with Respect to the Acid-Base Chemistry between Protein and Chromophore

  摘要：

  Earlier investigations have shown that the cysteine adduct of phycocyanobilin dimethylester qualifies for intramolecular protonation [1]. In this context, the -Cys-Ala-Phe-Asp-tetrapeptide adduct of phycocyanobilin dimethylester was synthesized and examined for its protonation properties with respect to the zwitterionic interaction between chromophore and protein.

  DOI：

  10.1007/s007060070065