Cefmatilen

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Formula C15H13N8O5S4
IUPAC Name (6r,7r)-7-[[(2z,3z)-3-cyanoimino-2-hydroxyimino-4-thioxo-butanoyl]amino]-3-[[(z)-isocyanoazo]methylsulfanylmethylsulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 513.574 g·mol−1
Heat of Formation 521.2 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 547.94 Å 3
Surface Area 445.54 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -2.60 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7r)-7-[[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-8-oxo-3-(2h-1,2,3-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2z)-2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-8-oxo-3-[(2h-triazol-4-ylthio)methylthio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2z)-2-(2-aminothiazol-4-yl)-2-hydroximino-acetyl]amino]-8-keto-3-[(2h-triazol-4-ylthio)methylthio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2z)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-8-oxo-3-(2h-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKey UEQVTKSAEXANEZ-YCRCPZNHSA-N
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