(3S)-tert-butyl 4-((3-(2-((Z)-(3-(bicyclo[2.2.1]heptan-2-yl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-(3'-hydroxy-5'-methoxyphenyl)furan-3-yl)propyl)amino)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoate | 1352735-29-5

• 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)-tert-butyl 4-((3-(2-((Z)-(3-(bicyclo[2.2.1]heptan-2-yl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-(3'-hydroxy-5'-methoxyphenyl)furan-3-yl)propyl)amino)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoate
• 英文别名: tert-butyl N-[(2S)-1-[3-[2-[(Z)-[3-(2-bicyclo[2.2.1]heptanyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-5-(3-hydroxy-5-methoxyphenyl)furan-3-yl]propylamino]-5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-1-oxopentan-2-yl]carbamate
• CAS: 1352735-29-5
• 化学式: C₄₆H₆₄N₆O₁₁S₂
• 分子量: 941.18
• InChiKey: BKMODMLOKCUDHM-WQSKPLFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  65
• 可旋转键数：
  22
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  277
• 氢给体数：
  5
• 氢受体数：
  14

文献信息

• COMPOUNDS USEFUL AS ANTIVIRAL AGENTS, COMPOSITIONS, AND METHODS OF USE
  申请人：Wang Guoxin

  公开号：US20130090339A1

  公开（公告）日：2013-04-11

  Novel 3-N-cycloalkyl-5-substituted-2-thioxothiazolidin-4-one derivatives that are effective for use in treating viral infections are described. Also described are pharmaceutical compositions comprising the 3-N-cycloalkyl-5-substituted-2-thioxothiazolidin-4-one derivatives and methods for using the compounds or compositions.
• US8933075B2
  申请人：——

  公开号：US8933075B2

  公开（公告）日：2015-01-13