(6S,7S)-7-{[(2E)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-(Methoxyimino)Acetyl]Amino}-3-(1H-Imidazo[1,2-A]Pyridin-4-Ium-1-Ylmethyl)-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate

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Properties Simple | Detailed

Formula C21H19N7O5S2
IUPAC Name (6s,7s)-3-(8ah-imidazo[1,2-a]pyridin-1-ylmethyl)-7-[[3-amino-2-(hydroxyammonio)propanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate; ammonia; hydrogen sulfide
Molecular Mass 513.549 g·mol−1
Heat of Formation 88.4 ± 16.7 kJ·mol−1
Dipole Moment 19.64 ± 1.08 D
Volume 553.49 Å 3
Surface Area 466.1 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -2.08 ± eV
Point Group Symmetry C1
Synonyms
  • (6s,7s)-7-[[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-(imidazo[3,2-a]pyridin-4-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • (6s,7s)-7-[[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[3,2-a]pyridin-4-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • (6s,7s)-7-[[(2e)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-(1-imidazo[3,2-a]pyridin-4-iumylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • (6s,7s)-7-[[(2e)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-(imidazo[3,2-a]pyridin-4-ium-1-ylmethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • (6s,7s)-7-[[(2e)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-(imidazo[3,2-a]pyridin-4-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • 7-(2-(2-aminothiazolyl)-2-methoxyiminoacetamido)-3-(imidazo(1,2-a)pyridinium-1-yl)methyl-3-cephem-4-carboxylate
  • 7-ampcc
CAS Number(s)
  • 112601-22-6
InChIKey UQCYUTGIMQPJIS-URCGDANASA-N
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