((S)-1-{4-[(S)-1-(4-tert-Butylcarbamoyl-phenylcarbamoyl)-3-methyl-butylcarbamoyl]-phenylcarbamoyl}-3-methyl-butyl)-carbamic acid tert-butyl ester | 823786-73-8

• 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: ((S)-1-{4-[(S)-1-(4-tert-Butylcarbamoyl-phenylcarbamoyl)-3-methyl-butylcarbamoyl]-phenylcarbamoyl}-3-methyl-butyl)-carbamic acid tert-butyl ester
• CAS: 823786-73-8
• 化学式: C₃₅H₅₁N₅O₆
• 分子量: 637.82
• InChiKey: XBLGRJLLKKOOPZ-NSOVKSMOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.88
• 重原子数：
  46.0
• 可旋转键数：
  12.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  154.73
• 氢给体数：
  5.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  ((S)-1-{4-[(S)-1-(4-tert-Butylcarbamoyl-phenylcarbamoyl)-3-methyl-butylcarbamoyl]-phenylcarbamoyl}-3-methyl-butyl)-carbamic acid tert-butyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Right-Handed Helical Structure of Expanded Oligo(l-leucine) Containing [Ru(terpyridine)₂]²⁺ Moieties

  摘要：

  Expanded oligo(l-leucine)s, containing an alternate arrangement of a bis(terpyridine)ruthenium(II) moiety and a l-leucine residue, were synthesized and characterized by 1H NMR, UV, CD, and electrochemical properties. The intensity of CD spectra per ruthenium unit increased with the elongation of the peptide chain. 1H NMR analysis of a tetramer indicated the right-handed helical structure in acetonitrile.

  DOI：

  10.1021/ja044310j
• 作为产物：
  描述：

  4-{(S)-2-[4-((S)-2-tert-Butoxycarbonylamino-4-methyl-pentanoylamino)-benzoylamino]-4-methyl-pentanoylamino}-benzoic acid ethyl ester 在 sodium hydroxide 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 ((S)-1-{4-[(S)-1-(4-tert-Butylcarbamoyl-phenylcarbamoyl)-3-methyl-butylcarbamoyl]-phenylcarbamoyl}-3-methyl-butyl)-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Right-Handed Helical Structure of Expanded Oligo(l-leucine) Containing [Ru(terpyridine)₂]²⁺ Moieties

  摘要：

  Expanded oligo(l-leucine)s, containing an alternate arrangement of a bis(terpyridine)ruthenium(II) moiety and a l-leucine residue, were synthesized and characterized by 1H NMR, UV, CD, and electrochemical properties. The intensity of CD spectra per ruthenium unit increased with the elongation of the peptide chain. 1H NMR analysis of a tetramer indicated the right-handed helical structure in acetonitrile.

  DOI：

  10.1021/ja044310j