[(2,2-Dimethylpropanoyl)Oxy]Methyl (6R,7R)-8-Oxo-7-[(Phenylacetyl)Amino]-3-Vinyl-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate

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Properties Simple | Detailed

Formula C23H26N2O6S
IUPAC Name 2,2-dimethylpropanoyloxymethyl (6r,7r)-8-oxo-7-[(2-phenylacetyl)amino]-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Mass 458.527 g·mol−1
Heat of Formation -581.7 ± 16.7 kJ·mol−1
Dipole Moment 3.33 ± 1.08 D
Volume 538.39 Å 3
Surface Area 423.33 Å 2
Point Group Symmetry C1
Synonyms
  • (6r,7r)-8-keto-7-[(2-phenylacetyl)amino]-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid pivaloyloxymethyl ester
  • (6r,7r)-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester
  • 2,2-dimethylpropanoyloxymethyl (6r,7r)-3-ethenyl-8-oxo-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • 2,2-dimethylpropanoyloxymethyl (6r,7r)-3-ethenyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • 2,2-dimethylpropanoyloxymethyl (6r,7r)-8-oxo-7-[(2-phenylacetyl)amino]-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-ethenyl-8-oxo-7-((phenylacetyl)amino)-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6r-trans)-
  • pivaloyloxymethyl 7-phenylacetamido-3-vinyl-3-cephem-4-carboxylate
  • pom-pavcc
CAS Number(s)
  • 146383-05-3
InChIKey IPWNJKJYNDLPHY-YLJYHZDGSA-N
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