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

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Properties Simple | Detailed

Formula C24H22N8O9S4
IUPAC Name carbon dioxide; 2-cyanoethynoxy-[2-(iminosulfonioamino)ethynyl]ammonium; (7-isocyanato-8-oxo-5-thia-1-azabicyclo[4.2.0]octa-2,6-dien-3-yl)methylsulfanylmethylidynesulfonium; molecular nitrogen; molecular oxygen
Molecular Mass 694.740 g·mol−1
Heat of Formation -685.7 ± 16.7 kJ·mol−1
Dipole Moment 11.41 ± 1.08 D
Volume 722.85 Å 3
Surface Area 530.18 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7r)-7-[[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-[(3s)-4-hydroxy-3-(3-hydroxy-4-oxo-pyridin-1-yl)-4-oxo-butoxy]imino-ethanoyl]amino]-8-oxo-3-(1,2,3-thiadiazol-5-ylsulfanylmethyl)-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-[(3s)-4-hydroxy-3-(3-hydroxy-4-oxopyridin-1-yl)-4-oxobutoxy]iminoacetyl]amino]-8-oxo-3-(thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2e)-2-(2-amino-4-thiazolyl)-2-[(3s)-4-hydroxy-3-(3-hydroxy-4-oxo-1-pyridyl)-4-oxobutoxy]imino-1-oxoethyl]amino]-8-oxo-3-[(5-thiadiazolylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2e)-2-(2-aminothiazol-4-yl)-2-[(3s)-4-hydroxy-3-(3-hydroxy-4-keto-1-pyridyl)-4-keto-butoxy]imino-acetyl]amino]-8-keto-3-[(thiadiazol-5-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2e)-2-(2-aminothiazol-4-yl)-2-[(3s)-4-hydroxy-3-(3-hydroxy-4-oxo-1-pyridyl)-4-oxo-butoxy]imino-acetyl]amino]-8-oxo-3-(thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 7-(-2-(2-aminothiazol-4-yl)-2-(3-(3-hydroxy-4-pyridon-1-yl)-3-carboxypropoxyimino)acetamido)-3-(1,2,3-thiadiazol-5-yl)-thiomethyl-3-cephem-4-carboxylic acid
  • 7-acttcc
CAS Number(s)
  • 133162-45-5
InChIKey UFDSWFPMQKYCKL-XNTYYDGPSA-N
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