(S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3-carboxy-propionylamino}-4-methyl-pentanoylamino)-N-[(S)-1-[(S)-1-carboxy-2-(4-hydroxy-phenyl)-ethylcarbamoyl]-2-(4-hydroxy-phenyl)-ethyl]-succinamic acid

• 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: (S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3-carboxy-propionylamino}-4-methyl-pentanoylamino)-N-[(S)-1-[(S)-1-carboxy-2-(4-hydroxy-phenyl)-ethylcarbamoyl]-2-(4-hydroxy-phenyl)-ethyl]-succinamic acid
• 英文别名: (3S)-3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-[[(1S)-1-[[(1S)-3-hydroxy-1-[[(1S)-2-[[(1S)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]-3-methyl-butyl]amino]-4-oxo-butanoic acid；(3S)-3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
• 化学式: C₄₁H₅₀N₆O₁₄
• 分子量: 850.88
• InChiKey: ZZQTWRZCOVRIHS-FSJACQRISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.6
• 重原子数：
  61
• 可旋转键数：
  23
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  344
• 氢给体数：
  12
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  (S)-3-((S)-2-{(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(4-hydroxy-phenyl)-propionylamino]-3-carboxy-propionylamino}-4-methyl-pentanoylamino)-N-[(S)-1-[(S)-1-carboxy-2-(4-hydroxy-phenyl)-ethylcarbamoyl]-2-(4-hydroxy-phenyl)-ethyl]-succinamic acid 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 以100%的产率得到(S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3-carboxy-propionylamino}-4-methyl-pentanoylamino)-N-[(S)-1-[(S)-1-carboxy-2-(4-hydroxy-phenyl)-ethylcarbamoyl]-2-(4-hydroxy-phenyl)-ethyl]-succinamic acid
  参考文献：
  名称：

  Inhibition of hiv-1 infection by synthetic peptide analogues derived from the nh2-Terminal extracellular region of gpr1

  摘要：

  Several shortened peptide analogues of the N-terminal domain of GPR1, an orphan G protein-coupled receptor (GPCR). were prepared and their anti-HIV-1 activities were evaluated. Some of the prepared compounds, especially sulfated derivatives. showed potent inhibitory activity against a broad range of HIV-1, including T cell-tropic, dual cell-tropic and brain-derived (BT) cell-tropic HIV-1 strains. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00503-0

文献信息

• Inhibition of hiv-1 infection by synthetic peptide analogues derived from the nh2-Terminal extracellular region of gpr1
  作者：Kiyoshi Ikeda、Koji Konishi、Masayuki Sato、Hiroo Hoshino、Kiyoshi Tanaka

  DOI：10.1016/s0960-894x(01)00503-0

  日期：2001.10

  Several shortened peptide analogues of the N-terminal domain of GPR1, an orphan G protein-coupled receptor (GPCR). were prepared and their anti-HIV-1 activities were evaluated. Some of the prepared compounds, especially sulfated derivatives. showed potent inhibitory activity against a broad range of HIV-1, including T cell-tropic, dual cell-tropic and brain-derived (BT) cell-tropic HIV-1 strains. (C) 2001 Elsevier Science Ltd. All rights reserved.