(6R,7S,Z)-benzhydryl-3-((1-(tert-butoxycarbonyl)-1H-pyrazol-4-yl)methylthio)-7-(2-(5-chloro-2-(tritylamino)thiazol-4-yl)-2-(trityloxyimino)acetamido)-8-oxo-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate | 1217259-47-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: (6R,7S,Z)-benzhydryl-3-((1-(tert-butoxycarbonyl)-1H-pyrazol-4-yl)methylthio)-7-(2-(5-chloro-2-(tritylamino)thiazol-4-yl)-2-(trityloxyimino)acetamido)-8-oxo-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate
• 英文别名: benzhydryl (6R,7S)-7-[[(2Z)-2-[5-chloro-2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetyl]amino]-3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]methylsulfanyl]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• CAS: 1217259-47-6
• 化学式: C₇₃H₆₂ClN₇O₇S₂
• 分子量: 1248.92
• InChiKey: MVMGDFHVJFYSAM-CBQAOZCCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.4
• 重原子数：
  90
• 可旋转键数：
  23
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  220
• 氢给体数：
  2
• 氢受体数：
  13

文献信息

• CARBACEPHEM BETA-LACTAM ANTIBIOTICS
  申请人：Wagman Allan Scott

  公开号：US20110224186A1

  公开（公告）日：2011-09-15

  Carbacephem β-lactam antibiotics having the following chemical structure (I) are disclosed: including stereoisomers, pharmaceutically acceptable salts, esters and prodrugs thereof, wherein Ar 2 , X, R 1 and R 2 are as defined herein. The compounds are useful for the treatment of bacterial infections, in particular those caused by methicillin-resistant Staphylococcus spp.