Z-Glu(OtBu)-Leu-Glu(OtBu)-NH2 | 287975-76-2

• 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: Z-Glu(OtBu)-Leu-Glu(OtBu)-NH2
• CAS: 287975-76-2
• 化学式: C₃₂H₅₀N₄O₉
• 分子量: 634.77
• InChiKey: RIHJGXFWEQIMGC-HJOGWXRNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.03
• 重原子数：
  45.0
• 可旋转键数：
  16.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  192.22
• 氢给体数：
  4.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  Z-Glu(OtBu)-Leu-Glu(OtBu)-NH2 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 以93%的产率得到H-Glu(OtBu)-Leu-Glu(OtBu)-NH2
  参考文献：
  名称：

  Rigid-Rodβ-Barrels as Lipocalin Models: Probing Confined Space by Carotenoid Encapsulation

  摘要：

  Herein, we describe the design, synthesis, structure, and function of synthetic, supramolecular beta-barrel models. Assembly of octi(p-phenylene)s with complementary -Lys-Leu-Lys-NH2 and Glu-Leu-Glu-NH2 side chains yielded water-soluble rigid-rod beta-barrels of precise length and with flexible diameter. A hydrophobic interior was evidenced by guest encapsulation. Host-guest complexes with planarized, monomeric beta-carotene within tetrameric rigid-rod beta-barrels, and disc micellar astaxanthin J-aggregates surrounded by about dodecameric rigid-rod "bicycle tires" were prepared from mixed micelles by dialytic detergent removal. The significance of these findings for future bioorganic chemistry in confined, intratoroidal space is discussed in comparison with pertinent biological examples.

  DOI：

  10.1002/(sici)1521-3765(20000515)6:10<1739::aid-chem1739>3.0.co;2-y
• 作为产物：
  描述：

  (S)-4,5-二氨基-5-氧代戊酸叔丁酯单盐酸盐 在 palladium on activated charcoal 氢气 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 12.0h， 生成 Z-Glu(OtBu)-Leu-Glu(OtBu)-NH2
  参考文献：
  名称：

  Rigid-Rodβ-Barrels as Lipocalin Models: Probing Confined Space by Carotenoid Encapsulation

  摘要：

  Herein, we describe the design, synthesis, structure, and function of synthetic, supramolecular beta-barrel models. Assembly of octi(p-phenylene)s with complementary -Lys-Leu-Lys-NH2 and Glu-Leu-Glu-NH2 side chains yielded water-soluble rigid-rod beta-barrels of precise length and with flexible diameter. A hydrophobic interior was evidenced by guest encapsulation. Host-guest complexes with planarized, monomeric beta-carotene within tetrameric rigid-rod beta-barrels, and disc micellar astaxanthin J-aggregates surrounded by about dodecameric rigid-rod "bicycle tires" were prepared from mixed micelles by dialytic detergent removal. The significance of these findings for future bioorganic chemistry in confined, intratoroidal space is discussed in comparison with pertinent biological examples.

  DOI：

  10.1002/(sici)1521-3765(20000515)6:10<1739::aid-chem1739>3.0.co;2-y