(6R,7R)-7-{[(2E)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-{[(2-Carboxy-2-Propanyl)Oxy]Imino}Acetyl]Amino}-3-[(Z)-2-(1,5-Dihydroxy-4-Oxo-1,4-Dihydro-2-Pyridinyl)Vinyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C16H8N6O10S2
IUPAC Name 2-(amino-λ4-sulfanylidyne)acetonitrile; carbon dioxide; (z)-carbonocyanidoyl-[3-[2-[(2r)-2-nitroso-3-oxo-oxiran-2-yl]ethynyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-en-7-ylidene]ammonium; formaldehyde; molecular oxygen
Molecular Mass 508.399 g·mol−1
Heat of Formation -914.2 ± 16.7 kJ·mol−1
Dipole Moment 6.00 ± 1.08 D
Volume 648.07 Å 3
Surface Area 487.19 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7r)-7-[[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-hydroxy-2-methyl-1-oxo-propan-2-yl)oxyimino-ethanoyl]amino]-3-[(z)-2-(1,5-dihydroxy-4-oxo-pyridin-2-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-3-[(z)-2-(1,5-dihydroxy-4-oxopyridin-2-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2e)-2-(2-amino-4-thiazolyl)-2-(2-hydroxy-1,1-dimethyl-2-oxoethoxy)imino-1-oxoethyl]amino]-3-[(z)-2-(1,5-dihydroxy-4-oxo-2-pyridyl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2e)-2-(2-aminothiazol-4-yl)-2-(2-hydroxy-1,1-dimethyl-2-oxo-ethoxy)imino-acetyl]amino]-3-[(z)-2-(1,5-dihydroxy-4-oxo-2-pyridyl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2e)-2-(2-aminothiazol-4-yl)-2-(2-hydroxy-2-keto-1,1-dimethyl-ethoxy)imino-acetyl]amino]-3-[(z)-2-(1,5-dihydroxy-4-keto-2-pyridyl)vinyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)((1-carboxy-1-methylethoxy)imino)acetyl)amino)-3-(2-(1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)ethenyl)-8-oxo-, (6r-(3(z),6alpha,7beta(z)))-
  • 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2z)-(2-amino-4-thiazolyl)((1-carboxy-1-methylethoxy)imino)acetyl)amino)-3-((1z)-2-(1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)ethenyl)-8-oxo-, (6r,7r)-
  • 7-(2-(2-aminothizol-4-yl)-2-(1-carboxy-1-methyl)ethoxyiminoacetamido)-3-(2-(1,5-dihdroxy-4-pyridon-2-yl)ethenyl)ceph-3-em-4-carboxylic acid
  • cp 6162
  • cp-6162
CAS Number(s)
  • 132182-62-8
InChIKey HLYONTDPYATMDZ-KJPPKZQDSA-N
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