| 1256342-87-6

• 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
• CAS: 1256342-87-6
• 化学式: C₂₈H₃₉N₅O₄
• 分子量: 509.649
• InChiKey: PUYOBDMLIQFDTJ-VMLLODBBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.12
• 重原子数：
  37.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  156.41
• 氢给体数：
  5.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  在 5% Pd(II)/C(eggshell) 、 氢气 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Building β-Peptide H10/12 Foldamer Helices with Six-Membered Cyclic Side-Chains: Fine-Tuning of Folding and Self-Assembly

  摘要：

  The ability of the beta-peptidic H10/12 helix to tolerate side-chains containing six-membered alicyclic rings was studied. cis-2-Aminocyclohex-3-ene carboxylic acid (cis-ACHEC) res dues afforded H10/12 helix formation with alternating backbone configuration. Conformational polymorphism was observed for the alternating cis-ACHC hexamer, where chemical exchange takes place between the major left-handed H10/12 helix and a minor folded conformation. The hydrophobically driven self-assembly was achieved for the cis-ACHC-containing helix which was observed as vesicles similar to 100 nm in diameter.

  DOI：

  10.1021/ol102494m
• 作为产物：
  描述：

  cis-2-(9-Fluorenylmethoxycarbonylamino)cyclohex-3-enecarboxylic acid 、 rac,cis-2-(9-fluorenylmethoxycarbonylamino)-cyclohex-3-ene carboxylic acid 在 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 三氟乙酸 作用下， 以 水 为溶剂， 反应 3.0h， 以48%的产率得到
  参考文献：
  名称：

  Building β-Peptide H10/12 Foldamer Helices with Six-Membered Cyclic Side-Chains: Fine-Tuning of Folding and Self-Assembly

  摘要：

  The ability of the beta-peptidic H10/12 helix to tolerate side-chains containing six-membered alicyclic rings was studied. cis-2-Aminocyclohex-3-ene carboxylic acid (cis-ACHEC) res dues afforded H10/12 helix formation with alternating backbone configuration. Conformational polymorphism was observed for the alternating cis-ACHC hexamer, where chemical exchange takes place between the major left-handed H10/12 helix and a minor folded conformation. The hydrophobically driven self-assembly was achieved for the cis-ACHC-containing helix which was observed as vesicles similar to 100 nm in diameter.

  DOI：

  10.1021/ol102494m