Boc-Nle-Ala-Val-Lys(Cbz(2-Cl))(Cbz(2-Cl))-Lys(Cbz(2-Cl))(Cbz(2-Cl))-al | 251320-29-3

• 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: Boc-Nle-Ala-Val-Lys(Cbz(2-Cl))(Cbz(2-Cl))-Lys(Cbz(2-Cl))(Cbz(2-Cl))-al
• 英文别名: tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-[(2-chlorophenyl)methoxycarbonylamino]-1-[[(2S)-6-[(2-chlorophenyl)methoxycarbonylamino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamate
• CAS: 251320-29-3
• 化学式: C₄₇H₆₉Cl₂N₇O₁₁
• 分子量: 979.011
• InChiKey: GCCMGEQCCBWVNC-CPXWHFMASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  67
• 可旋转键数：
  32
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  249
• 氢给体数：
  7
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  Boc-Nle-Ala-Val-Lys(Cbz(2-Cl))(Cbz(2-Cl))-Lys(Cbz(2-Cl))(Cbz(2-Cl))-al 、 alkaline earth salt of/the/ methylsulfuric acid 在 三氟乙酸 作用下， 生成 TFA,H2-Nle-Ala-Val-Lys(2-Z-Cl)-Lys(2-Z-Cl)-Ξ[CH2NH]-Tyr(2,6-di-Cl-Bzl)-Leu-Ala-Ala-Val-Leu-Gly-OH
  参考文献：
  名称：

  Solid phase synthesis of a ΨCH2NH pseudopeptide by ligation of a peptidyl aldehyde with a resin-bound amino peptide

  摘要：

  Solid phase synthesis of psi[CH2NH] pseudopeptide 3 was accomplished by reductive amination of peptidyl aldehyde 1 with resin bound amino peptide 2. No epimerization took place during the aldehyde preparation or the reductive amination step. This convergent strategy should facilitate the synthesis of analogues of the neuropeptide PACAP. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00689-4
• 作为产物：
  描述：

  methyl (1'S,4S)-2-[1-(tert-butoxycarbonylamino)-5'-(2-chlorobenzyloxycarbonylamino)pentyl]-3-methyl-2-thiazolidine-4-carboxylate 在 sodium hydroxide 、 H₂N(CH₂)5CONH-MBHA resin 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 Boc-Nle-Ala-Val-Lys(Cbz(2-Cl))(Cbz(2-Cl))-Lys(Cbz(2-Cl))(Cbz(2-Cl))-al
  参考文献：
  名称：

  Solid phase synthesis of a ΨCH2NH pseudopeptide by ligation of a peptidyl aldehyde with a resin-bound amino peptide

  摘要：

  Solid phase synthesis of psi[CH2NH] pseudopeptide 3 was accomplished by reductive amination of peptidyl aldehyde 1 with resin bound amino peptide 2. No epimerization took place during the aldehyde preparation or the reductive amination step. This convergent strategy should facilitate the synthesis of analogues of the neuropeptide PACAP. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00689-4

文献信息

• Solid phase synthesis of a ΨCH2NH pseudopeptide by ligation of a peptidyl aldehyde with a resin-bound amino peptide
  作者：Christel Gros、Nathalie Galéotti、Robert Pascal、Patrick Jouin

  DOI：10.1016/s0040-4020(99)00689-4

  日期：1999.10

  Solid phase synthesis of psi[CH2NH] pseudopeptide 3 was accomplished by reductive amination of peptidyl aldehyde 1 with resin bound amino peptide 2. No epimerization took place during the aldehyde preparation or the reductive amination step. This convergent strategy should facilitate the synthesis of analogues of the neuropeptide PACAP. (C) 1999 Elsevier Science Ltd. All rights reserved.