2-[(E)-[2-[[(6R,7R)-3-[[(5S,8aS)-2-(3-chloro-4,5-dihydroxybenzoyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-5-yl]methyl]-8-oxo-2-(2H-tetrazol-5-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-1-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxy-2-methylpropanoic 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: 2-[(E)-[2-[[(6R,7R)-3-[[(5S,8aS)-2-(3-chloro-4,5-dihydroxybenzoyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-5-ium-5-yl]methyl]-8-oxo-2-(2H-tetrazol-5-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-1-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
• 化学式: C31H34Cl2N11O8S2+
• 分子量: 823.7
• InChiKey: WQDDCOSBEHOPAP-RVMJGNRASA-O

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  54
• 可旋转键数：
  10
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  316
• 氢给体数：
  6
• 氢受体数：
  16

文献信息

• NOVEL CEPHEM COMPOUND HAVING CATECHOL OR PSEUDO-CATECHOL STRUCTURE
  申请人：Nishitani Yasuhiro

  公开号：US20140088302A1

  公开（公告）日：2014-03-27

  The present invention provides a novel compound which has a wide antimicrobial spectrum, and in particular exhibits potent antimicrobial activity against beta-lactamase producing Gram negative bacteria. Specifically, the present invention provides a compound of the formula (I): wherein each symbol is as defined in the specification, or an amino-protected compound when the amino group is present on the ring in the 7-side chain, or a pharmaceutically acceptable salt thereof, and a pharmaceutical composition comprising the same.
• US9334289B2
  申请人：——

  公开号：US9334289B2

  公开（公告）日：2016-05-10