(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenylsulfanyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide; (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-oxo-pentyl]-N-tert-butyl-4-(3-pyridylmethyl)piperazine-2-carboxamide

• 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: (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenylsulfanyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide; (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-oxo-pentyl]-N-tert-butyl-4-(3-pyridylmethyl)piperazine-2-carboxamide
• 英文别名: (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide;(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide
• 化学式: C68H92N8O8S
• 分子量: 1181.6
• InChiKey: JMKCCAFAPWHFEE-KSMUZNRHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.61
• 重原子数：
  85
• 可旋转键数：
  22
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  245
• 氢给体数：
  8
• 氢受体数：
  13

文献信息

• [EN] ASSAYS FOR PROTEASE INHIBITORS, METHODS AND MEANS<br/>[FR] DOSAGES D'INHIBITEURS DE PROTEASE, PROCEDES ET MOYENS
  申请人：USTAV ORGANICKE CHEMIE A BIOCH

  公开号：WO2003012131A2

  公开（公告）日：2003-02-13

  A fusion protein is provided in cells in culture that comprises (i) an autoproteolytic precursor of a cytotoxic protease and (ii) a reporter protein, which reporter protein provides a quantitative signal indicative of amount of reporter protein present within the cells, allowing for assays to identify inhibitors of the protease and potential therapeutics useful in targeting pathogens, especially viruses such as HIV.