(S)-N-(5-tert-butyloxycarbonylaminopentyl)-2-amino-3-(1H-indol-3-yl)propanamide | 938053-48-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (S)-N-(5-tert-butyloxycarbonylaminopentyl)-2-amino-3-(1H-indol-3-yl)propanamide
• CAS: 938053-48-6
• 化学式: C₂₁H₃₂N₄O₃
• 分子量: 388.51
• InChiKey: YILDWHILRFKKCT-KRWDZBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.85
• 重原子数：
  28.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  109.24
• 氢给体数：
  4.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (S)-N-(5-tert-butyloxycarbonylaminopentyl)-2-amino-3-(1H-indol-3-yl)propanamide 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以92%的产率得到(S)-2-amino-N-(5-aminopentyl)-3-(1H-indol-3-yl)-propanamide
  参考文献：
  名称：

  Design of antimicrobial compounds based on peptide structures

  摘要：

  New antimicrobial compounds are of major importance because of the growing problem of bacterial resistance and antimicrobial peptides have been gaining a lot of interest. Their mechanism of action, however, is often obscure. Here a set of non-peptidic compounds with antimicrobial activity are presented that have been designed based on criteria derived from three-dimensional structures of antimicrobial peptides. Even though only a small set of compounds has been designed, the activity immediately matches that of the original peptides, supporting the proposed criteria for activity, i.e. not the peptidic nature of antimicrobial peptides is responsible for their activity but rather the proper arrangement of the relevant functional groups. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.075
• 作为产物：
  描述：

  N-(5-氨基戊基)氨基甲酸叔丁酯 在 palladium on activated charcoal 氢气 、 1-羟基苯并三唑一水物 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 20.0 ℃ 、300.01 kPa 条件下， 反应 4.0h， 生成 (S)-N-(5-tert-butyloxycarbonylaminopentyl)-2-amino-3-(1H-indol-3-yl)propanamide
  参考文献：
  名称：

  Design of antimicrobial compounds based on peptide structures

  摘要：

  New antimicrobial compounds are of major importance because of the growing problem of bacterial resistance and antimicrobial peptides have been gaining a lot of interest. Their mechanism of action, however, is often obscure. Here a set of non-peptidic compounds with antimicrobial activity are presented that have been designed based on criteria derived from three-dimensional structures of antimicrobial peptides. Even though only a small set of compounds has been designed, the activity immediately matches that of the original peptides, supporting the proposed criteria for activity, i.e. not the peptidic nature of antimicrobial peptides is responsible for their activity but rather the proper arrangement of the relevant functional groups. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.075