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HIT214322557
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HIT214322557
  • HIT ID:HIT214322557
  • Cas No:1436862-69-9
  • 常用名:Antibacterial agent 51
  • IUPAC:[(2S,5R)-2-{[2-(morpholin-4-yl)acetohydrazido]carbonyl}-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl]oxidanesulfonic acid sodium
    IUPAC:[(2S,5R)-2-{[2-(morpholin-4-yl)acetohydrazido]carbonyl}-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl]oxidanesulfonic acid sodium
  • InChI key:NYLXBJSMEABAGS-UXQCFNEQSA-N
  • 分子式:C13H21N5NaO8S
  • 分子量:430.39
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[Na].[H][C@]12CN([C@@H](CC1)C(=O)NNC(=O)CN1CCOCC1)C(=O)N2OS(O)(=O)=O |TLB:8:5:21.23:3,24:23:3:5.7.6|jcExt:v:0:0
    SMILES:[Na].[H][C@]12CN([C@@H](CC1)C(=O)NNC(=O)CN1CCOCC1)C(=O)N2OS(O)(=O)=O |TLB:8:5:21.23:3,24:23:3:5.7.6|jcExt:v:0:0
  • Antibacterial agent 51 (example 45) is a potent antibacterial compound effective against E. coli strains NCTC 13351, M 50, and 7 MP, with MIC values of 4, 8, and 8 mcg/mL, respectively (WO2013030733A1).
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