(3-((R)-2-((S)-2-((R)-2-((S)-2-((R)-2-((S)-2-amino-6-((tert-butoxycarbonyl)amino)hexanamido)propanamido)-4-methylpentanamido)propanamido)-6-((tert-butoxycarbonyl)amino)hexanamido)propanamido)-2-methylbenzoyl)-D-alanine | 1333476-12-2

• 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: (3-((R)-2-((S)-2-((R)-2-((S)-2-((R)-2-((S)-2-amino-6-((tert-butoxycarbonyl)amino)hexanamido)propanamido)-4-methylpentanamido)propanamido)-6-((tert-butoxycarbonyl)amino)hexanamido)propanamido)-2-methylbenzoyl)-D-alanine
• CAS: 1333476-12-2
• 化学式: C₄₈H₈₀N₁₀O₁₃
• 分子量: 1005.22
• InChiKey: CQRVKPRJLQLXSG-IYGNWFMLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.38
• 重原子数：
  71.0
• 可旋转键数：
  27.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  343.68
• 氢给体数：
  11.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  (3-((R)-2-((S)-2-((R)-2-((S)-2-((R)-2-((S)-2-amino-6-((tert-butoxycarbonyl)amino)hexanamido)propanamido)-4-methylpentanamido)propanamido)-6-((tert-butoxycarbonyl)amino)hexanamido)propanamido)-2-methylbenzoyl)-D-alanine 在 2-propanephosphonic acid anhydride 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 54.0h， 生成
  参考文献：
  名称：

  Processable Cyclic Peptide Nanotubes with Tunable Interiors

  摘要：

  A facile route to generate cyclic peptide nanotubes with tunable interiors is presented. By incorporating 3-amino-2-methylbenzoic acid in the D,L-alternating primary sequence of a cyclic peptide, a functional group can be presented in the interior of the nanotubes without compromising the formation of high aspect ratio nanotubes. The new design of such a cyclic peptide also enables one to modulate the nanotube growth process to be compatible with the polymer processing window without compromising the formation of high aspect ratio nanotubes, thus opening a viable approach toward molecularly defined porous membranes.

  DOI：

  10.1021/ja2063082
• 作为产物：
  描述：

  Fmoc-L-亮氨酸 、 3-(9-fluorenylmethyloxycarbonyl)amino-2-methylbenzoic acid 、 N-alpha-芴甲氧羰基-N-epsilon-叔丁氧羰基-L-赖氨酸 、 Fmoc-D-丙氨酸 在 N,N-二异丙基乙胺 、 哌啶 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以0.119 g的产率得到(3-((R)-2-((S)-2-((R)-2-((S)-2-((R)-2-((S)-2-amino-6-((tert-butoxycarbonyl)amino)hexanamido)propanamido)-4-methylpentanamido)propanamido)-6-((tert-butoxycarbonyl)amino)hexanamido)propanamido)-2-methylbenzoyl)-D-alanine
  参考文献：
  名称：

  Processable Cyclic Peptide Nanotubes with Tunable Interiors

  摘要：

  A facile route to generate cyclic peptide nanotubes with tunable interiors is presented. By incorporating 3-amino-2-methylbenzoic acid in the D,L-alternating primary sequence of a cyclic peptide, a functional group can be presented in the interior of the nanotubes without compromising the formation of high aspect ratio nanotubes. The new design of such a cyclic peptide also enables one to modulate the nanotube growth process to be compatible with the polymer processing window without compromising the formation of high aspect ratio nanotubes, thus opening a viable approach toward molecularly defined porous membranes.

  DOI：

  10.1021/ja2063082