{(S)-2,2-Dimethyl-1-[(S)-3-methyl-1-(4-oxo-azetidin-2-yloxymethyl)-butylcarbamoyl]-propyl}-carbamic acid tert-butyl ester | 210492-66-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: {(S)-2,2-Dimethyl-1-[(S)-3-methyl-1-(4-oxo-azetidin-2-yloxymethyl)-butylcarbamoyl]-propyl}-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[(2S)-3,3-dimethyl-1-[[(2S)-4-methyl-1-(4-oxoazetidin-2-yl)oxypentan-2-yl]amino]-1-oxobutan-2-yl]carbamate
• CAS: 210492-66-3
• 化学式: C₂₀H₃₇N₃O₅
• 分子量: 399.531
• InChiKey: MILNBBAYJXMUEC-ZNZOUBGRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  28
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  106
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (S)-(-)-1-苯乙基异氰酸酯 、 {(S)-2,2-Dimethyl-1-[(S)-3-methyl-1-(4-oxo-azetidin-2-yloxymethyl)-butylcarbamoyl]-propyl}-carbamic acid tert-butyl ester 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 ((S)-2,2-Dimethyl-1-{(S)-3-methyl-1-[4-oxo-1-((S)-1-phenyl-ethylcarbamoyl)-azetidin-2-yloxymethyl]-butylcarbamoyl}-propyl)-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Inhibition of human cytomegalovirus protease N o with monocyclic β-lactams

  摘要：

  Monocyclic beta-lactams have been identified as potent and selective inhibitors of the human cytomegalovirus protease (HCMV) N-o. Two series of these inhibitors are described, a peptidyl series of compounds and non-peptidic molecules featuring lower molecular weights. The SAR work that lead to the discovery of these inhibitors, together with their synthesis is also disclosed. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00240-6
• 作为产物：
  描述：

  N-Boc-L-叔亮氨酸 在 N-甲基吗啉 、 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 三乙胺 、 palladium dichloride 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 、 乙腈 为溶剂， 生成 {(S)-2,2-Dimethyl-1-[(S)-3-methyl-1-(4-oxo-azetidin-2-yloxymethyl)-butylcarbamoyl]-propyl}-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Inhibition of human cytomegalovirus protease N o with monocyclic β-lactams

  摘要：

  Monocyclic beta-lactams have been identified as potent and selective inhibitors of the human cytomegalovirus protease (HCMV) N-o. Two series of these inhibitors are described, a peptidyl series of compounds and non-peptidic molecules featuring lower molecular weights. The SAR work that lead to the discovery of these inhibitors, together with their synthesis is also disclosed. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00240-6