[(2S)-1-hydroxy-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propyl]phosphonic acid | 1467641-77-5

• 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: [(2S)-1-hydroxy-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propyl]phosphonic acid
• CAS: 1467641-77-5
• 化学式: C₂₁H₃₂N₃O₈P
• 分子量: 485.474
• InChiKey: KJDIDVXAUAUDFC-ASPXRTSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  33
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  174
• 氢给体数：
  6
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (2S)-2-((S)-2-((((苄氧基)羰基)氨基)-4-甲基戊酰氨基)-3-(2-氧代 在 锂硼氢 、 亚磷酸 、 戴斯-马丁氧化剂 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 [(2S)-1-hydroxy-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propyl]phosphonic acid
  参考文献：
  名称：

  Potent inhibition of norovirus by dipeptidyl α-hydroxyphosphonate transition state mimics

  摘要：

  The design, synthesis, and evaluation of a series of dipeptidyl alpha-hydroxyphosphonates is reported. The synthesized compounds displayed high anti-norovirus activity in a cell-based replicon system, as well as high enzyme selectivity. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.08.073

文献信息

• Potent inhibition of norovirus by dipeptidyl α-hydroxyphosphonate transition state mimics
  作者：Sivakoteswara Rao Mandadapu、Mallikarjuna Reddy Gunnam、Anushka C. Galasiti Kankanamalage、Roxanne Adeline Z. Uy、Kevin R. Alliston、Gerald H. Lushington、Yunjeong Kim、Kyeong-Ok Chang、William C. Groutas

  DOI：10.1016/j.bmcl.2013.08.073

  日期：2013.11

  The design, synthesis, and evaluation of a series of dipeptidyl alpha-hydroxyphosphonates is reported. The synthesized compounds displayed high anti-norovirus activity in a cell-based replicon system, as well as high enzyme selectivity. (C) 2013 Elsevier Ltd. All rights reserved.