{(S)-1-[((S)-1,2-Dicarbamoyl-ethylamino)-methyl]-2-methyl-propyl}-carbamic acid tert-butyl ester | 534568-57-5

• 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: {(S)-1-[((S)-1,2-Dicarbamoyl-ethylamino)-methyl]-2-methyl-propyl}-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[(2S)-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-3-methylbutan-2-yl]carbamate
• CAS: 534568-57-5
• 化学式: C₁₄H₂₈N₄O₄
• 分子量: 316.401
• InChiKey: ZFKFTLOTXDUTPX-VHSXEESVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  22
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  137
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  {(S)-1-[((S)-1,2-Dicarbamoyl-ethylamino)-methyl]-2-methyl-propyl}-carbamic acid tert-butyl ester 在 三氟乙酸 作用下， 反应 1.5h， 生成 (S)-2-((S)-2-Amino-3-methyl-butylamino)-succinamide
  参考文献：
  名称：

  Design and synthesis of conformationally constrained, extended and reverse turn pseudopeptides as Grb2-SH2 domain antagonists

  摘要：

  A series of conformationally constrained and flexible pseudopeptide derivatives of the tripeptide pYVN were prepared as potential antagonists of interactions of phosphotyrosine peptides with the Grb2-SH2 domain. The conformation ally constrained compounds contained trans- and cis-cyclopropanes as replacements to enforce locally extended and reverse turn peptide conformations, respectively. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00013-3
• 作为产物：
  描述：

  (S)-2-((S)-2-tert-Butoxycarbonylamino-3-methyl-butylamino)-succinic acid dimethyl ester 在 氰化钠 氨 作用下， 以 甲醇 为溶剂， 反应 72.0h， 以69%的产率得到{(S)-1-[((S)-1,2-Dicarbamoyl-ethylamino)-methyl]-2-methyl-propyl}-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Design and synthesis of conformationally constrained, extended and reverse turn pseudopeptides as Grb2-SH2 domain antagonists

  摘要：

  A series of conformationally constrained and flexible pseudopeptide derivatives of the tripeptide pYVN were prepared as potential antagonists of interactions of phosphotyrosine peptides with the Grb2-SH2 domain. The conformation ally constrained compounds contained trans- and cis-cyclopropanes as replacements to enforce locally extended and reverse turn peptide conformations, respectively. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00013-3

文献信息

• Design and synthesis of conformationally constrained, extended and reverse turn pseudopeptides as Grb2-SH2 domain antagonists
  作者：Hilary R Plake、Thomas B Sundberg、Angela R Woodward、Stephen F Martin

  DOI：10.1016/s0040-4039(03)00013-3

  日期：2003.2

  A series of conformationally constrained and flexible pseudopeptide derivatives of the tripeptide pYVN were prepared as potential antagonists of interactions of phosphotyrosine peptides with the Grb2-SH2 domain. The conformation ally constrained compounds contained trans- and cis-cyclopropanes as replacements to enforce locally extended and reverse turn peptide conformations, respectively. (C) 2003 Elsevier Science Ltd. All rights reserved.