tert-butyl (2S,5S,8S,11S)-2,5,8,11-tetraethyl-4,7,10,13-tetraoxo-2,5,8,11-tetrapentyl-3,6,9,12-tetraazatetradecanoate | 1333081-54-1

• 英文名称: tert-butyl (2S,5S,8S,11S)-2,5,8,11-tetraethyl-4,7,10,13-tetraoxo-2,5,8,11-tetrapentyl-3,6,9,12-tetraazatetradecanoate
• CAS: 1333081-54-1
• 化学式: C₄₂H₈₀N₄O₆
• 分子量: 737.12
• InChiKey: XESAFZMVGGVMDE-IWWWZYECSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.73
• 重原子数：
  52.0
• 可旋转键数：
  28.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  142.7
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  在 sodium tetrahydroborate 、 乙醇 作用下， 以 乙腈 为溶剂， 反应 72.0h， 生成 tert-butyl (2S,5S,8S,11S)-2,5,8,11-tetraethyl-4,7,10,13-tetraoxo-2,5,8,11-tetrapentyl-3,6,9,12-tetraazatetradecanoate
  参考文献：
  名称：

  Chiral, fully extended helical peptides

  摘要：

  The synthesis of the N-protected (blocked) homo-peptide esters from the chiral C-alpha-ethyl, C-alpha-n-pentylglycine was performed in solution to the hexapeptide level. The conformational propensity exhibited by these oligomers in chloroform solution and in the crystal state was assessed by use of FTIR absorption, NMR, and X-ray diffraction. The results indicated that fully extended helical structures (2.0(5)-helices) are overwhelmingly adopted irrespective of the peptide main-chain length. This oligomeric series is of great interest as it is characterized by the longest C (i) (alpha) ,aEuro broken vertical bar, C (i+1) (alpha) (per residue) separation achievable in the class of chiral, rigid, helical peptide spacers based on alpha-amino acids.

  DOI：

  10.1007/s00726-011-0839-9