3,3-Dimethyl-2-Oxobutyl (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 C22H27N5O6S2
IUPAC Name (3,3-dimethyl-2-oxobutyl) (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
Molecular Mass 521.610 g·mol−1
Heat of Formation -511.6 ± 16.7 kJ·mol−1
Dipole Moment 5.53 ± 1.08 D
Volume 598.01 Å 3
Surface Area 479.31 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 2.08 ± eV
Point Group Symmetry C1
Synonyms
  • (3,3-dimethyl-2-oxo-butyl) (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
  • (3,3-dimethyl-2-oxo-butyl) (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
  • (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 (3,3-dimethyl-2-oxobutyl) 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-3,3-dimethyl-butyl) 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-, 3,3-dimethyl-2-oxobutyl ester, (6r-(6alpha,7beta(z)))-
  • patmpc
  • pivaloyloxymethyl 7-(2-(2-amino-4-thiazole)-2-methoxyiminoacetamido)-3-(2-propenyl)-3-cephem-4-carboxylate
CAS Number(s)
  • 137778-03-1
InChIKey XMBYPLVYBALMFA-IRPQAHJPSA-N
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