Boc-L-Leu-L-Leu-Aib-D-Leu-D-Leu-Aib-OMe | 1237747-48-6

• 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: Boc-L-Leu-L-Leu-Aib-D-Leu-D-Leu-Aib-OMe
• 英文别名: Boc-Leu-Leu-Aib-D-Leu-D-Leu-Aib-OMe；methyl 2-methyl-2-[[(2R)-4-methyl-2-[[(2R)-4-methyl-2-[[2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate
• CAS: 1237747-48-6
• 化学式: C₃₈H₇₀N₆O₉
• 分子量: 755.009
• InChiKey: LJQFFOOOYCWKOF-WXIAYYLYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  53
• 可旋转键数：
  23
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  210
• 氢给体数：
  6
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  Boc-L-Leu-L-Leu-Aib-D-Leu-D-Leu-Aib-OMe 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以99%的产率得到H-L-Leu-L-Leu-Aib-D-Leu-D-Leu-Aib-OMe
  参考文献：
  名称：

  Topological Study of the Structures of Heterochiral Peptides Containing Equal Amounts of l-Leu and d-Leu

  摘要：

  We designed and synthesized two dodecapeptides, Boc-(L-Leu-L-Leu-Aib-D-Leu-D-Leu-Aib)(2)-OMe (5) and Boc-L-Leu-L-Leu-Aib-(D-Leu-D-Leu-Aib)(2)-L-Leu-L-Leu-Aib-OMe (6), that contain equal amounts of L-Leu, D-Leu, and achiral Aib residues. The conformations of peptides 5 and 6 in the crystalline state were studied using X-ray crystallographic analysis. Peptide 5 formed a left-handed (M) alpha-helical structure, whereas peptide 6 was composed of a combination of fused (M) alpha-helical and right-handed (P) 3(10)-helical structures. In solution, roughly equivalent amounts of (P) and (M) helices were present in 5, whereas the (M) alpha-helix was present in 6 as its dominant conformation.

  DOI：

  10.1021/acs.joc.5b01541