(6R,7R)-3-(Acetoxymethyl)-7-({(2R)-2-[(2-Furoylcarbamoyl)Amino]-2-Phenylacetyl}Amino)-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C24H22N4O9S
IUPAC Name (6r,7r)-3-(acetoxymethyl)-7-[[(2r)-2-(furan-2-carbonylcarbamoylamino)-2-phenyl-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 542.518 g·mol−1
Heat of Formation -1088.4 ± 16.7 kJ·mol−1
Dipole Moment 8.38 ± 1.08 D
Volume 595.12 Å 3
Surface Area 510.86 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7r)-3-(acetoxymethyl)-7-[[(2r)-2-(furan-2-carbonylcarbamoylamino)-2-phenyl-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-3-(acetoxymethyl)-7-[[(2r)-2-(furan-2-carbonylcarbamoylamino)-2-phenyl-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-3-(acetoxymethyl)-7-[[(2r)-2-[[[(2-furyl-oxomethyl)amino]-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-3-(acetyloxymethyl)-7-[[(2r)-2-(furan-2-ylcarbonylcarbamoylamino)-2-phenyl-ethanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 7-((3-(2-furoyl)ureido)phenylacetamido)cephalosporanic acid
  • 7-fupaca
CAS Number(s)
  • 97965-20-3
InChIKey HSCYOROICHVXLC-DRSNIGMVSA-N
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