Boc-Leu-(S)-SulfCO-Leu-OAll | 188633-85-4

• 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: Boc-Leu-(S)-SulfCO-Leu-OAll
• 英文别名: (S_S)-N-(N-tert-butyloxycarbonyl-L-leucinyl S-phenyl sulfonimidoyl methyl)-N-(O-allyl-L-leucinyl)carboxyamide；prop-2-enyl (2S)-4-methyl-2-[[2-[N-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-S-phenylsulfonimidoyl]acetyl]amino]pentanoate
• CAS: 188633-85-4
• 化学式: C₂₈H₄₃N₃O₇S
• 分子量: 565.731
• InChiKey: XWOWSUHMXVDXHM-AVCBJMSNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.24
• 重原子数：
  39.0
• 可旋转键数：
  13.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  140.23
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  Boc-Leu-(S)-SulfCO-Leu-OAll 在 四(三苯基膦)钯 、 苯硅烷 作用下， 生成
  参考文献：
  名称：

  Sulfoximines in pseudopeptides

  摘要：

  Syntheses of sulfoximine-containing pseudopeptides of type 2 are reported. Intramolecular hydrogen bonds have been revealed by NMR spectroscopy. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00001-4
• 作为产物：
  描述：

  (S_S)-N-(N-tert-Butyloxycarbonyl-L-leucinyl)-S-methyl S-phenyl sulfoximine 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 生成 Boc-Leu-(S)-SulfCO-Leu-OAll
  参考文献：
  名称：

  Sulfoximines in pseudopeptides

  摘要：

  Syntheses of sulfoximine-containing pseudopeptides of type 2 are reported. Intramolecular hydrogen bonds have been revealed by NMR spectroscopy. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00001-4

文献信息

• Turn Formation Initiated by a Bissulfoximine Motif:  Synthesis and Structural Investigation
  作者：Carsten Bolm、Dirk Müller、Christian P. R. Hackenberger

  DOI：10.1021/ol017188r

  日期：2002.3.1

  [GRAPHICS]Bissulfoximines containing heterochiral SulfCO-SulfCO units may be used as molecular templates, which induce U-shaped conformations in peptidelike structures. The synthesis of such molecules has been investigated, and the structural requirements of this new turn motif have been identified.
• Synthesis of Pseudopeptides with Sulfoximines as Chiral Backbone Modifying Elements
  作者：Carsten Bolm、Guido Moll、Jan D. Kahmann

  DOI：10.1002/1521-3765(20010302)7:5<1118::aid-chem1118>3.0.co;2-3

  日期：2001.3.2

  The synthesis of pseudopeptides with a chiral alpha -sulfonimidoylcarboxy moiety in the backbone is described. Starting from readily available (S-S)-S-methyl S-phenyl sulfoximine and various cyclic and acyclic alpha -amino acids the desired products are obtained in good yields with peptide coupling methodology, Specific secondary structures caused by intramolecular hydrogen bends may be adopted. Results of NMR studies to reveal conformational preferences will be discussed.