HO-Phe-Asn-Leu-Thr-Ser-NH-C(=O)-(CH2)5-Ethyne-(CH2)5-C(=O)-N-Pro-Gln-Ile-Thr-Leu-Trp-OH

• 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: HO-Phe-Asn-Leu-Thr-Ser-NH-C(=O)-(CH2)5-Ethyne-(CH2)5-C(=O)-N-Pro-Gln-Ile-Thr-Leu-Trp-OH
• 英文别名: (2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[14-[(2S)-2-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-14-oxotetradec-7-ynoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid
• 化学式: C₇₇H₁₁₄N₁₄O₂₀
• 分子量: 1555.83
• InChiKey: LQYOPZDSTYADBY-XTDBVNKWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  111
• 可旋转键数：
  49
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  549
• 氢给体数：
  18
• 氢受体数：
  20

反应信息

• 作为产物：
  描述：

  (S)-2-((S)-2-{(S)-2-[(2S,3R)-2-((S)-2-Amino-3-hydroxy-propionylamino)-3-hydroxy-butyrylamino]-4-methyl-pentanoylamino}-3-carbamoyl-propionylamino)-3-phenyl-propionic acid 、 C₅₅H₇₉N₉O₁₄ 在 N,N-二异丙基乙胺 作用下， 以 二甲基亚砜 为溶剂， 反应 24.0h， 生成 HO-Phe-Asn-Leu-Thr-Ser-NH-C(=O)-(CH2)5-Ethyne-(CH2)5-C(=O)-N-Pro-Gln-Ile-Thr-Leu-Trp-OH
  参考文献：
  名称：

  Restricting the flexibility of crosslinked, interfacial peptide inhibitors of HIV-1 protease

  摘要：

  Interfacial peptides of HIV-1 protease were crosslinked with varying length alkyl-chains containing either a single cia or trans double bond, or a triple bond to remove degrees of freedom within the tethers. The synthesis of these compounds and their effects on the activity of HIV-1 protease are described. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00595-2

文献信息

• Restricting the flexibility of crosslinked, interfacial peptide inhibitors of HIV-1 protease
  作者：Luckner G. Ulysse、Jean Chmielewski

  DOI：10.1016/s0960-894x(98)00595-2

  日期：1998.11

  Interfacial peptides of HIV-1 protease were crosslinked with varying length alkyl-chains containing either a single cia or trans double bond, or a triple bond to remove degrees of freedom within the tethers. The synthesis of these compounds and their effects on the activity of HIV-1 protease are described. (C) 1998 Elsevier Science Ltd. All rights reserved.