benzyl (3S)-3-{[(benzyloxy)carbonyl]amino}-4-oxo-4-[(3-oxopropyl)amino]butanoate | 473710-08-6

• 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: benzyl (3S)-3-{[(benzyloxy)carbonyl]amino}-4-oxo-4-[(3-oxopropyl)amino]butanoate
• 英文别名: benzyl (3S)-4-oxo-4-(3-oxopropylamino)-3-(phenylmethoxycarbonylamino)butanoate
• CAS: 473710-08-6
• 化学式: C₂₂H₂₄N₂O₆
• 分子量: 412.442
• InChiKey: TYHYVOOVCXATIA-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  30
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  benzyl (3S)-3-{[(benzyloxy)carbonyl]amino}-4-oxo-4-[(3-oxopropyl)amino]butanoate 在 palladium on activated charcoal 氢气 、 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 benzyl (3S)-3-amino-4-[3-[[(1R,2S)-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl]amino]propylamino]-4-oxobutanoate
  参考文献：
  名称：

  Muraymycins, novel peptidoglycan biosynthesis inhibitors: synthesis and SAR of their analogues

  摘要：

  A Series Of Muraymycin analogues was synthesized. These analogues showed excellent antimicrobial activity against grain-positive organisins. These analogues also showed excellent inhibitory activity against the target peptidoglycan biosynthesis enzyme MraY, the cell membrane associated transglycosylase responsible for the formation of Lipid II. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00671-1
• 作为产物：
  描述：

  CBZ-L-天门冬氨酸β-苄酯 在 盐酸 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 二异丙胺 作用下， 以 四氢呋喃 为溶剂， 生成 benzyl (3S)-3-{[(benzyloxy)carbonyl]amino}-4-oxo-4-[(3-oxopropyl)amino]butanoate
  参考文献：
  名称：

  Muraymycins, novel peptidoglycan biosynthesis inhibitors: synthesis and SAR of their analogues

  摘要：

  A Series Of Muraymycin analogues was synthesized. These analogues showed excellent antimicrobial activity against grain-positive organisins. These analogues also showed excellent inhibitory activity against the target peptidoglycan biosynthesis enzyme MraY, the cell membrane associated transglycosylase responsible for the formation of Lipid II. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00671-1

文献信息

• Antibiotic AA 896 analogs
  申请人：American Cyanamid Company

  公开号：US20030087874A1

  公开（公告）日：2003-05-08

  The invention provides compounds of the Formula 1 1 wherein the definitions of m, n, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 and R 13 are in the specification. These compounds are useful as antibacterial agents.

  本发明提供了式子11的化合物，其中m、n、R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12和R13的定义在规范中。这些化合物可用作抗菌剂。