(1S)-1-Acetoxyethyl (6R,7R)-3-[(Carbamoyloxy)Methyl]-7-{[(2Z)-2-(2-Furyl)-2-(Methoxyimino)Acetyl]Amino}-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate

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Properties Simple | Detailed

Formula C20H22N4O10S
IUPAC Name [(1s)-1-acetoxyethyl] (6r,7r)-3-(carbamoyloxymethyl)-7-[[(2z)-2-(2-furyl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Mass 510.474 g·mol−1
Heat of Formation -1217.0 ± 16.7 kJ·mol−1
Dipole Moment 5.79 ± 1.08 D
Volume 570.26 Å 3
Surface Area 459.2 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7r)-3-(carbamoyloxymethyl)-7-[[(2z)-2-(2-furyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(1s)-1-acetoxyethyl] ester
  • (6r,7r)-3-(carbamoyloxymethyl)-7-[[(2z)-2-(2-furyl)-2-methoxyimino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(1s)-1-acetoxyethyl] ester
  • [(1s)-1-acetoxyethyl] (6r,7r)-3-(carbamoyloxymethyl)-7-[[(2z)-2-(2-furyl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • [(1s)-1-acetyloxyethyl] (6r,7r)-3-(aminocarbonyloxymethyl)-7-[[(2z)-2-furan-2-yl-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
InChIKey KEJCWVGMRLCZQQ-QFDKGRJDSA-N
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