[(S)-5-Benzyloxycarbonylamino-5-(3,3-diethoxy-propylcarbamoyl)-pentyl]-carbamic acid benzyl ester | 615537-51-4

• 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: [(S)-5-Benzyloxycarbonylamino-5-(3,3-diethoxy-propylcarbamoyl)-pentyl]-carbamic acid benzyl ester
• 英文别名: benzyl N-[(2S)-1-(3,3-diethoxypropylamino)-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamate
• CAS: 615537-51-4
• 化学式: C₂₉H₄₁N₃O₇
• 分子量: 543.66
• InChiKey: RKENMXZYPGPPLI-VWLOTQADSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  39
• 可旋转键数：
  20
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  124
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  [(S)-5-Benzyloxycarbonylamino-5-(3,3-diethoxy-propylcarbamoyl)-pentyl]-carbamic acid benzyl ester 在 palladium on activated charcoal 盐酸 、 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 tert-butyl (2S,3R)-2-[3-[[(2S)-2-amino-6-(phenylmethoxycarbonylamino)hexanoyl]amino]propylamino]-3-[(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]-3-hydroxypropanoate
  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：

  1-氨基-3,3-二乙氧基丙烷 、 N,N’-双苄氧羰基-L-赖氨酸 在 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 [(S)-5-Benzyloxycarbonylamino-5-(3,3-diethoxy-propylcarbamoyl)-pentyl]-carbamic acid benzyl ester
  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

• Muraymycins, novel peptidoglycan biosynthesis inhibitors: synthesis and SAR of their analogues
  作者：Ayako Yamashita、Emily Norton、Peter J Petersen、Beth A Rasmussen、Guy Singh、Youjin Yang、Tarek S Mansour、Douglas M Ho

  DOI：10.1016/s0960-894x(03)00671-1

  日期：2003.10

  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.