H-Ala-Pro-Cys(1)-OMe.H-Ala-Pro-Cys(1)-OMe | 774180-42-6

• 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: H-Ala-Pro-Cys(1)-OMe.H-Ala-Pro-Cys(1)-OMe
• 英文别名: methyl (2R)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-3-[[(2R)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-3-methoxy-3-oxopropyl]disulfanyl]propanoate
• CAS: 774180-42-6
• 化学式: C₂₄H₄₀N₆O₈S₂
• 分子量: 604.749
• InChiKey: QRXPFRIAYSUHBV-QQCJEOGWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  40
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  254
• 氢给体数：
  4
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  2,6-氯甲酰吡啶 、 H-Ala-Pro-Cys(1)-OMe.H-Ala-Pro-Cys(1)-OMe 在 N-甲基吗啉 作用下， 以 二氯甲烷 为溶剂， 以38%的产率得到dimethyl (4S,10S,13R,18R,21S,27S)-4,27-dimethyl-2,5,11,20,26,29-hexaoxo-15,16-dithia-3,6,12,19,25,28,34-heptazatetracyclo[28.3.1.06,10.021,25]tetratriaconta-1(34),30,32-triene-13,18-dicarboxylate
  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 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

文献信息

• A cystine-bearing pseudo-cyclopeptide as a new amphi-receptor
  作者：Hai Huang、Linjing Mu、Jiaqi He、Jin-Pei Cheng

  DOI：10.1016/s0040-4039(02)00238-1

  日期：2002.3

  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.