H-Gly-Val-Pro-Val-Trp(Boc)-Ala-OH | 1025903-83-6

• 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-Gly-Val-Pro-Val-Trp(Boc)-Ala-OH
• 英文别名: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoyl]amino]propanoic acid
• CAS: 1025903-83-6
• 化学式: C₃₆H₅₃N₇O₉
• 分子量: 727.858
• InChiKey: QKMAWUAVHAGPOF-LEOCLVAGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  52
• 可旋转键数：
  16
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  231
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  H-Gly-Val-Pro-Val-Trp(Boc)-Ala-OH 在 二苯基膦叠氮化物 、 三氟乙酸 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 王不留行环肽A
  参考文献：
  名称：

  First synthesis of segetalin A and analogous cyclohexapeptides

  摘要：

  The first synthesis of segetalin A and two analogues is described. Peptide cyclisation was carried out between L-glycine and L-alanine residues in the linear hexapeptide at the final step of the synthesis. Diphenylphosphoryl azide (DPPA) gave the best results as a coupling reagent without epimerisation. The synthesized segetalin A was completely identical to the natural compound with respect to its physicochemical properties. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)02354-6
• 作为产物：
  描述：

  Fmoc-甘氨酸 、 Fmoc-L-缬氨酸 、 Fmoc-L-脯氨酸 、 Fmoc-L-色氨酸(Boc)-OH 、 alkaline earth salt of/the/ methylsulfuric acid 生成 H-Gly-Val-Pro-Val-Trp(Boc)-Ala-OH
  参考文献：
  名称：

  First synthesis of segetalin A and analogous cyclohexapeptides

  摘要：

  The first synthesis of segetalin A and two analogues is described. Peptide cyclisation was carried out between L-glycine and L-alanine residues in the linear hexapeptide at the final step of the synthesis. Diphenylphosphoryl azide (DPPA) gave the best results as a coupling reagent without epimerisation. The synthesized segetalin A was completely identical to the natural compound with respect to its physicochemical properties. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)02354-6