(5-Methyl-2-Oxo-1,3-Dioxol-4-Yl)Methyl (6R,7R)-7-{[(2E)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-(Methoxyimino)Acetyl]Amino}-3-Isopropenyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate

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Properties Simple | Detailed

Formula C21H21N5O8S2
IUPAC Name (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (6r,7r)-7-[[(2e)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-isopropenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Mass 535.550 g·mol−1
Heat of Formation -694.2 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 582.02 Å 3
Surface Area 464.63 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (6r,7r)-7-[[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-3-prop-1-en-2-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (6r,7r)-7-[[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-prop-1-en-2-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (6r,7r)-7-[[(2e)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-isopropenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • (5-methyl-2-oxo-1,3-dioxolen-4-yl)methyl 7-(2-(2-amino-4-thiazole)-2-methoxyiminoacetamido)-3-(2-propenyl)-3-cephem-4-carboxylate
  • (6r,7r)-7-[[(2e)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-isopropenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester
  • (6r,7r)-7-[[(2e)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-isopropenyl-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2-keto-5-methyl-1,3-dioxol-4-yl)methyl ester
  • 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(1-methylethenyl)-8-oxo-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester, (6r-(6alpha,7beta(z)))-
  • mdatmc
CAS Number(s)
  • 137778-06-4
InChIKey KQGNEPPMEINCBV-NLYRJCHXSA-N
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