NH=Pro-Cys(OMe)-SS-Cys(OMe)-Pro=NH | 369617-04-9

• 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: NH=Pro-Cys(OMe)-SS-Cys(OMe)-Pro=NH
• 英文别名: H-Pro-Cys(1)-OMe.H-Pro-Cys(1)-OMe；methyl (2R)-3-[[(2R)-3-methoxy-3-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propyl]disulfanyl]-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoate
• CAS: 369617-04-9
• 化学式: C₁₈H₃₀N₄O₆S₂
• 分子量: 462.591
• InChiKey: DJWDTCNLKGVRSB-XUXIUFHCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  30
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  186
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  NH=Pro-Cys(OMe)-SS-Cys(OMe)-Pro=NH 在 N-甲基吗啉 、 盐酸 作用下， 以 二氯甲烷 为溶剂， 生成 H-Ala-Pro-Cys(1)-OMe.H-Ala-Pro-Cys(1)-OMe
  参考文献：
  名称：

  A cystine-bearing pseudo-cyclopeptide as a new amphi-receptor

  摘要：

  A conformationally constrained cyclic peptide was designed and synthesized as a novel amphi-receptor. It binds to cations or anions through the carbonyl or amino groups, respectively. The stability of the cation complexes relies largely on the polarizability of the cation, whereas the stability of the anion complexes relies on the strength of the H-bond as well as the polarizability of the anion. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00238-1
• 作为产物：
  描述：

  胱氨酸二甲酯 在 N-甲基吗啉 、 盐酸 、 乙酸乙酯 作用下， 以 二氯甲烷 为溶剂， 生成 NH=Pro-Cys(OMe)-SS-Cys(OMe)-Pro=NH
  参考文献：
  名称：

  A cystine-bearing pseudo-cyclopeptide as a new amphi-receptor

  摘要：

  A conformationally constrained cyclic peptide was designed and synthesized as a novel amphi-receptor. It binds to cations or anions through the carbonyl or amino groups, respectively. The stability of the cation complexes relies largely on the polarizability of the cation, whereas the stability of the anion complexes relies on the strength of the H-bond as well as the polarizability of the anion. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00238-1

文献信息

• Facile Formation of Chiral Calixarene Analogs Incorporating Cystine Peptide into the Macrocyclic Ring.
  作者：Kazuaki Ito、Takafumi Tamura、Kazuhito Watanabe、Yoshihiro Ohba

  DOI：10.1248/cpb.50.432

  日期：——

  Chiral calixarene analogs incorporating cystine peptide into their macrocyclic ring were easily prepared by the cyclization reactions of bis(chloromethyl)phenol-formaldehyde oligomers with cystine peptides in moderate yields. Circular dichroism (CD) spectra indicated the existence of the transmission of the chirality from peptide unit to phenol-formaldehyde oligomer moiety.

  通过将双（氯甲基）苯酚甲醛低聚物与胱氨酸肽进行环化反应，可以容易地制备将胱氨酸肽掺入其大环的手性杯芳烃类似物。圆二色性（CD）光谱表明手性从肽单元到酚-甲醛低聚物部分的传递存在。