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

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Properties Simple | Detailed

Formula C22H18N6O9S2
IUPAC Name carbon dioxide; [3-[[(6r,7r)-2-carboxy-3-[(3,4-dioxo-2,5-dihydropyridine-2,5-diid-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]carbamoyl]-5-thioxo-isoxazol-4-id-4-yl]-cyano-azanide; prop-1-yne
Molecular Mass 574.543 g·mol−1
Heat of Formation -915.8 ± 16.7 kJ·mol−1
Dipole Moment 7.50 ± 1.08 D
Volume 627.34 Å 3
Surface Area 515.46 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -1.00 ± 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-[(3-hydroxy-4-oxo-pyridin-1-yl)methyl]-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-[(3-hydroxy-4-oxopyridin-1-yl)methyl]-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-[(3-hydroxy-4-oxo-1-pyridyl)methyl]-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-[(3-hydroxy-4-oxo-1-pyridyl)methyl]-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-[(3-hydroxy-4-keto-1-pyridyl)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 7-(2-(2-aminothiazole-4-yl)-2-(1-carboxy-1-methyl)ethoxyiminoacetamido)-3-(3-hydroxy-4-pyridon-1-yl)methyl-3-cephem-4-carboxylic acid
  • 7-atpcc
CAS Number(s)
  • 128236-34-0
InChIKey OTRYAHNZFLNNCB-KZBLUZIOSA-N
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