((S)-2-Methyl-1-{(S)-2-phenyl-1-[(S)-1-((S)-1-phenyl-ethylaminooxalyl)-butylcarbamoyl]-ethylcarbamoyl}-propyl)-carbamic acid isopropyl ester

• 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)-2-Methyl-1-{(S)-2-phenyl-1-[(S)-1-((S)-1-phenyl-ethylaminooxalyl)-butylcarbamoyl]-ethylcarbamoyl}-propyl)-carbamic acid isopropyl ester
• 英文别名: isopropyl N-[(1S)-1-[[(1S)-1-benzyl-2-oxo-2-[[(1S)-1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]acetyl]butyl]amino]ethyl]carbamoyl]-2-methyl-propyl]carbamate；propan-2-yl N-[(2S)-1-[[(2S)-1-[[(3S)-1,2-dioxo-1-[[(1S)-1-phenylethyl]amino]hexan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
• 化学式: C₃₂H₄₄N₄O₆
• 分子量: 580.725
• InChiKey: SNHDTEKTHWUSBJ-OXCFDMGDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  42
• 可旋转键数：
  16
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  143
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  L-缬氨酸苄酯盐酸盐 在 palladium on activated charcoal sodium hydroxide 、 N-羟基-7-氮杂苯并三氮唑 、 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 氢气 、 戴斯-马丁氧化剂 、 N,N-二异丙基乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 甲醇 为溶剂， 生成 ((S)-2-Methyl-1-{(S)-2-phenyl-1-[(S)-1-((S)-1-phenyl-ethylaminooxalyl)-butylcarbamoyl]-ethylcarbamoyl}-propyl)-carbamic acid isopropyl ester
  参考文献：
  名称：

  Synthesis and evaluation of tripeptidyl α-Ketoamides as human rhinovirus 3C protease inhibitors

  摘要：

  We describe herein the synthesis and biological evaluation of a series of tripeptidyl alpha-ketoamides as human rhinovirus (HRV) 3C protease inhibitors. The most potent inhibitor discussed in this manuscript, 41, exhibited impressive enzyme inhibitory activity as well as antiviral activity against HRV-14. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00753-4

文献信息

• Synthesis and evaluation of tripeptidyl α-Ketoamides as human rhinovirus 3C protease inhibitors
  作者：Shu-Hui Chen、Jason Lamar、Frantz Victor、Nancy Snyder、Robert Johnson、Beverly A. Heinz、Mark Wakulchik、Q.May Wang

  DOI：10.1016/s0960-894x(03)00753-4

  日期：2003.10

  We describe herein the synthesis and biological evaluation of a series of tripeptidyl alpha-ketoamides as human rhinovirus (HRV) 3C protease inhibitors. The most potent inhibitor discussed in this manuscript, 41, exhibited impressive enzyme inhibitory activity as well as antiviral activity against HRV-14. (C) 2003 Elsevier Ltd. All rights reserved.