[2-[2-tert-butylsulfanyl-1-(4-methoxyphenyl)ethylamino]acetylamino]acetic acid ethyl ester | 628298-12-4

• 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: [2-[2-tert-butylsulfanyl-1-(4-methoxyphenyl)ethylamino]acetylamino]acetic acid ethyl ester
• 英文别名: Ethyl 2-[[2-[[2-tert-butylsulfanyl-1-(4-methoxyphenyl)ethyl]amino]acetyl]amino]acetate
• CAS: 628298-12-4
• 化学式: C₁₉H₃₀N₂O₄S
• 分子量: 382.524
• InChiKey: KWAFBFLIIYQCRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  26
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [2-[2-tert-butylsulfanyl-1-(4-methoxyphenyl)ethylamino]acetylamino]acetic acid ethyl ester 在 mercury(II) diacetate 、 苯甲醚 、 三氟乙酸 、 air 、 硫化氢 作用下， 以 乙腈 为溶剂， 反应 0.45h， 生成 [2-[2-[2-[[(ethoxycarbonylmethylcarbamoyl)methyl]amino]-2-(4-methoxyphenyl)ethyldisulfanyl]-1-(4-methoxyphenyl)ethylamino]acetylamino]acetic acid ethyl ester
  参考文献：
  名称：

  Derivatized Amino Acids Relevant to Native Peptide Synthesis by Chemical Ligation and Acyl Transfer

  摘要：

  Three amino acids were converted into the derivatives 5.2 (from glycine), 6.4a and 6.4b (from alanine), and 8.3a and 8.3b (from O-benzyl serine). These N-alkylated amino acids, which can be deprotected after conversion of the carboxyl into an amide, correspond to the general structure 2.1, a compound class of use in the study of peptide segment coupling by the ligation-acyl transfer method.

  DOI：

  10.1021/jo030192r
• 作为产物：
  描述：

  [2-tert-butylsulfanyl-1-(4-methoxyphenyl)ethylamino]acetic acid ethyl ester 在 sodium hydroxide 、 potassium carbonate 、 溶剂黄146 、 sodium chloride 、 镉 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 19.5h， 生成 [2-[2-tert-butylsulfanyl-1-(4-methoxyphenyl)ethylamino]acetylamino]acetic acid ethyl ester
  参考文献：
  名称：

  Derivatized Amino Acids Relevant to Native Peptide Synthesis by Chemical Ligation and Acyl Transfer

  摘要：

  Three amino acids were converted into the derivatives 5.2 (from glycine), 6.4a and 6.4b (from alanine), and 8.3a and 8.3b (from O-benzyl serine). These N-alkylated amino acids, which can be deprotected after conversion of the carboxyl into an amide, correspond to the general structure 2.1, a compound class of use in the study of peptide segment coupling by the ligation-acyl transfer method.

  DOI：

  10.1021/jo030192r

文献信息

• Derivatized Amino Acids Relevant to Native Peptide Synthesis by Chemical Ligation and Acyl Transfer
  作者：Derrick L. J. Clive、Soleiman Hisaindee、Don M. Coltart

  DOI：10.1021/jo030192r

  日期：2003.11.1

  Three amino acids were converted into the derivatives 5.2 (from glycine), 6.4a and 6.4b (from alanine), and 8.3a and 8.3b (from O-benzyl serine). These N-alkylated amino acids, which can be deprotected after conversion of the carboxyl into an amide, correspond to the general structure 2.1, a compound class of use in the study of peptide segment coupling by the ligation-acyl transfer method.