methyl 2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[(1R)-1-[[2-[methyl-[2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]prop-2-enoyl]amino]acetyl]amino]ethyl]-1,3-thiazole-4-carbonyl]amino]propanoyl]amino]-3-(4-methoxy-1H-indol-3-yl)propanoyl]amino]acetate | 1304755-62-1

• 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: methyl 2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[(1R)-1-[[2-[methyl-[2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]prop-2-enoyl]amino]acetyl]amino]ethyl]-1,3-thiazole-4-carbonyl]amino]propanoyl]amino]-3-(4-methoxy-1H-indol-3-yl)propanoyl]amino]acetate
• CAS: 1304755-62-1
• 化学式: C₄₆H₅₆N₁₀O₁₁S
• 分子量: 957.077
• InChiKey: BUMXRNSFUOAOPX-DLKXRSBVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  68
• 可旋转键数：
  23
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  312
• 氢给体数：
  8
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  methyl 2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[(1R)-1-[[2-[methyl-[2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]prop-2-enoyl]amino]acetyl]amino]ethyl]-1,3-thiazole-4-carbonyl]amino]propanoyl]amino]-3-(4-methoxy-1H-indol-3-yl)propanoyl]amino]acetate 在 N-羟基-7-氮杂苯并三氮唑 、 lithium hydrochloride monohydrate 、 2-(1H-benzotriazol-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate 、 水 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 生成 argyrin A
  参考文献：
  名称：

  Total synthesis of argyrins A and E

  摘要：

  The total synthesis of argyrins A and E were accomplished using a convergent strategy by condensation of one tripeptide and two dipeptide fragments. The synthesis strategy, which was developed for the protection of peptide fragments and identification of the optimum macrocylization site, can be applied to further synthetic studies involving other members of the argyrin family. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.03.021
• 作为产物：
  描述：

  Boc-(L)-(4-OMe)Trp-OH 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 methyl 2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[(1R)-1-[[2-[methyl-[2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]prop-2-enoyl]amino]acetyl]amino]ethyl]-1,3-thiazole-4-carbonyl]amino]propanoyl]amino]-3-(4-methoxy-1H-indol-3-yl)propanoyl]amino]acetate
  参考文献：
  名称：

  Total synthesis of argyrins A and E

  摘要：

  The total synthesis of argyrins A and E were accomplished using a convergent strategy by condensation of one tripeptide and two dipeptide fragments. The synthesis strategy, which was developed for the protection of peptide fragments and identification of the optimum macrocylization site, can be applied to further synthetic studies involving other members of the argyrin family. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.03.021

文献信息

• Total synthesis of argyrins A and E
  作者：Wenbin Wu、Zheng Li、Guangbiao Zhou、Sheng Jiang

  DOI：10.1016/j.tetlet.2011.03.021

  日期：2011.5

  The total synthesis of argyrins A and E were accomplished using a convergent strategy by condensation of one tripeptide and two dipeptide fragments. The synthesis strategy, which was developed for the protection of peptide fragments and identification of the optimum macrocylization site, can be applied to further synthetic studies involving other members of the argyrin family. (C) 2011 Elsevier Ltd. All rights reserved.