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HIT214322558
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HIT214322558
  • HIT ID:HIT214322558
  • Cas No:1436862-71-3
  • 常用名:Antibacterial agent 50
  • IUPAC:[(2S,5R)-2-{[2-(morpholin-4-yl)-2-oxoacetohydrazido]carbonyl}-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl]oxidanesulfonic acid sodium
    IUPAC:[(2S,5R)-2-{[2-(morpholin-4-yl)-2-oxoacetohydrazido]carbonyl}-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl]oxidanesulfonic acid sodium
  • InChI key:NMAITRXATPKQET-RJUBDTSPSA-N
  • 分子式:C13H19N5NaO9S
  • 分子量:444.37
  • 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)C(=O)N1CCOCC1)C(=O)N2OS(O)(=O)=O |TLB:8:5:22.24:3,25:24:3:5.7.6|jcExt:v:0:0
    SMILES:[Na].[H][C@]12CN([C@@H](CC1)C(=O)NNC(=O)C(=O)N1CCOCC1)C(=O)N2OS(O)(=O)=O |TLB:8:5:22.24:3,25:24:3:5.7.6|jcExt:v:0:0
  • Antibacterial agent 50 (example 47) is a compound that exhibits antibacterial activity. It shows minimum inhibitory concentration (MIC) values of 32, 64, and 128 mcg/mL against three strains of E. coli, namely NCTC 13351, M 50, and 7 MP, respectively (WO2013030733A1).
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