methyl (2S)-2-[[(2S)-3-methyl-2-[[4-(phenylmethoxycarbonylamino)cyclopent-2-en-1-yl]sulfinylamino]butanoyl]amino]-3-phenylpropanoate | 1019698-00-0

• 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: methyl (2S)-2-[[(2S)-3-methyl-2-[[4-(phenylmethoxycarbonylamino)cyclopent-2-en-1-yl]sulfinylamino]butanoyl]amino]-3-phenylpropanoate
• CAS: 1019698-00-0
• 化学式: C₂₈H₃₅N₃O₆S
• 分子量: 541.668
• InChiKey: PBSRBMQQPZDOAA-UAZAQKRCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  38
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  142
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  benzyl (1R,4S)-2-oxo-2lambda4-thia-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylate 、 L-valyl-L-phenylalanine methyl ester 以 四氢呋喃 、 甲苯 为溶剂， 反应 0.25h， 以72%的产率得到methyl (2S)-2-[[(2S)-3-methyl-2-[[4-(phenylmethoxycarbonylamino)cyclopent-2-en-1-yl]sulfinylamino]butanoyl]amino]-3-phenylpropanoate
  参考文献：
  名称：

  New Mild and Efficient Synthesis of Peptidosulfonamides

  摘要：

  This article describes a new route to peptidosulfonamide. Our study shows how sulfinamides were first obtained via nucleophilic cleavage of 3,6-dihydrothiazine-1-oxide system and how the products can be subjected to oxidation with m-chloroperbenzoic acid to give sulfonamides in good yield.

  DOI：

  10.1080/00397910701845340

文献信息

• New Mild and Efficient Synthesis of Peptidosulfonamides
  作者：Giovanni Papandrea、Fabio Ponticelli

  DOI：10.1080/00397910701845340

  日期：2008.2.1

  This article describes a new route to peptidosulfonamide. Our study shows how sulfinamides were first obtained via nucleophilic cleavage of 3,6-dihydrothiazine-1-oxide system and how the products can be subjected to oxidation with m-chloroperbenzoic acid to give sulfonamides in good yield.