N-3-[4-(n-pentyl)phenyl]propionyl-D-tyrosyl-L-tyrosyl-L-phenylalanine

• 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: N-3-[4-(n-pentyl)phenyl]propionyl-D-tyrosyl-L-tyrosyl-L-phenylalanine
• 英文别名: deamino-Phe(4-pentyl)-D-Tyr-Tyr-Phe-OH；(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2R)-3-(4-hydroxyphenyl)-2-[3-(4-pentylphenyl)propanoylamino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid
• 化学式: C₄₁H₄₇N₃O₇
• 分子量: 693.84
• InChiKey: BKXIOUQRGUCMGA-BOALQFNTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  51
• 可旋转键数：
  19
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  165
• 氢给体数：
  6
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  L-苯丙氨酸烯丙基酯对甲苯磺酸盐 、 Fmoc-Tyr-O-All 、 Fmoc-O-叔丁基-D-酪氨酸 、 3-(4-pentylphenyl)propanoic acid 以16 mg的产率得到N-3-[4-(n-pentyl)phenyl]propionyl-D-tyrosyl-L-tyrosyl-L-phenylalanine
  参考文献：
  名称：

  Solid-phase synthesis of a pepticinnamin E Library

  摘要：

  Pepticinnamin E is a naturally occurring bisubstrate inhibitor of farnesyltransferase. Based on the structure of the natural product, a compound library was synthesized by variation of eight structural parameters. Following three different routes, a total of 51 analogues was synthesized on the polymeric support in 6-11-step parallel syntheses. Overall yields ranged from 3 to 63%, and the compounds were obtained with >90% purity. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00159-7