(3S,6S)-1,6-dibenzyl-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-7-prop-2-enyl-1,4,7-triazecane-2,5,8-trione | 444167-86-6

• 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: (3S,6S)-1,6-dibenzyl-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-7-prop-2-enyl-1,4,7-triazecane-2,5,8-trione
• CAS: 444167-86-6
• 化学式: C₃₅H₄₁N₃O₄
• 分子量: 567.728
• InChiKey: UGDKSZUMFBALAC-CONSDPRKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.95
• 重原子数：
  42.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  78.95
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (3S,6S)-1,6-dibenzyl-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-7-prop-2-enyl-1,4,7-triazecane-2,5,8-trione 在 三氟乙酸 作用下， 反应 0.5h， 以11%的产率得到(3S,6S)-1,6-dibenzyl-3-[(4-hydroxyphenyl)methyl]-7-prop-2-enyl-1,4,7-triazecane-2,5,8-trione
  参考文献：
  名称：

  Synthesis of Cyclic (α₂β)-Tripeptides as Potential Peptide Turn Mimetics

  摘要：

  [GRAPHICS]The solid-supported synthesis followed by cyclization in solution of cyclic (alpha(2)beta)-tripeptides, potential peptide beta-turn mimetics, is described. The cyclization takes advantage of facilitating the rotation between trans- and cis-rotamers of two amide bonds. The method is amenable to combinatorial approaches as is illustrated by the synthesis of a small array of cyclic (alpha(2)beta)-tripeptides.

  DOI：

  10.1021/ol025988b
• 作为产物：
  描述：

  (S)-2-[Allyl-(3-{[(S)-2-amino-3-(4-tert-butoxy-phenyl)-propionyl]-benzyl-amino}-propionyl)-amino]-3-phenyl-propionic acid 在 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 1-羟基苯并三唑 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以55%的产率得到(3S,6S)-1,6-dibenzyl-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-7-prop-2-enyl-1,4,7-triazecane-2,5,8-trione
  参考文献：
  名称：

  Synthesis of Cyclic (α₂β)-Tripeptides as Potential Peptide Turn Mimetics

  摘要：

  [GRAPHICS]The solid-supported synthesis followed by cyclization in solution of cyclic (alpha(2)beta)-tripeptides, potential peptide beta-turn mimetics, is described. The cyclization takes advantage of facilitating the rotation between trans- and cis-rotamers of two amide bonds. The method is amenable to combinatorial approaches as is illustrated by the synthesis of a small array of cyclic (alpha(2)beta)-tripeptides.

  DOI：

  10.1021/ol025988b