(PheS,AspS)-N-9-fluorenylmethyloxycarbonyl-phenylalanyl-β-(2-trimethylsilylethyl)-α-methyl-aspartate | 310904-82-6

• 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: (PheS,AspS)-N-9-fluorenylmethyloxycarbonyl-phenylalanyl-β-(2-trimethylsilylethyl)-α-methyl-aspartate
• CAS: 310904-82-6
• 化学式: C₃₄H₄₀N₂O₇Si
• 分子量: 616.786
• InChiKey: KHUTYLMGQUPBDZ-KYJUHHDHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.07
• 重原子数：
  44.0
• 可旋转键数：
  13.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  120.03
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (PheS,AspS)-N-9-fluorenylmethyloxycarbonyl-phenylalanyl-β-(2-trimethylsilylethyl)-α-methyl-aspartate 在 N-羟基-7-氮杂苯并三氮唑 、 4-氨甲基哌啶 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 生成
  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：

  2-(三甲硅基)乙醇 在 palladium on activated charcoal 氢气 、 sodium carbonate 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 吡啶 、 氯仿 、 异丙醇 、 乙腈 为溶剂， 反应 2.67h， 生成 (PheS,AspS)-N-9-fluorenylmethyloxycarbonyl-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