(5R,6S)-3-[2-(5-methyltetrazol-1-yl)ethylthio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid | 81570-59-4

• 英文名称: (5R,6S)-3-[2-(5-methyltetrazol-1-yl)ethylthio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• 英文别名: (5R,6S)-6-[(1S)-1-hydroxyethyl]-3-[2-(5-methyltetrazol-1-yl)ethylsulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• CAS: 81570-59-4
• 化学式: C₁₃H₁₇N₅O₄S
• 分子量: 339.375
• InChiKey: CQGHNHXNFXOSRF-SKWCMTHISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  147
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• Beta-lactam antibiotics, their preparation and use
  申请人：BEECHAM GROUP PLC

  公开号：EP0044170A1

  公开（公告）日：1982-01-20

  The present invention provides the compounds of the formula (II): and salts and esters thereof wherein R3 is a hydrogen atom or is an organic bonded via a carbon atom to the carbapenem ring, n is zero or one, X is a saturated or unsaturated hydrocarbon radical optionally substituted by bromo or chloro, and R4 is a C1-6 alkyl, C2-6 alkenyl, C1-10 aralkyl or aryl group, any of such groups R4 being optionally substituted. These compounds are useful as antibacterial agents.

  本发明提供了式(II)化合物： 及其盐和酯，其中 R3 是氢原子或通过碳原子与碳青霉烯环结合的有机物，n 是零或一，X 是饱和或不饱和的烃基，可任选被溴或氯取代，R4 是 C1-6 烷基、C2-6 烯基、C1-10 芳基或芳基，其中任一基团 R4 可任选被取代。这些化合物可用作抗菌剂。