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

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Properties Simple | Detailed

Formula C14H37N7O10S2++
IUPAC Name (6r,7r)-7-[[3-amino-2-(hydroxyammonio)propanoyl]amino]-3-[[2-(hydroxyammonio)ethyl-methyl-amino]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; ammonia; hydrogen sulfide; tetrahydrate
Molecular Mass 527.614 g·mol−1
Heat of Formation -971.7 ± 16.7 kJ·mol−1
Dipole Moment 8.35 ± 1.08 D
Volume 699.48 Å 3
Surface Area 568.27 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.98 ± 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-[[(1,5-dihydroxy-4-oxo-pyridin-2-yl)methyl-methyl-amino]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-[[(1,5-dihydroxy-4-oxopyridin-2-yl)methyl-methylamino]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-[[(1,5-dihydroxy-4-oxo-2-pyridyl)methyl-methylamino]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-[[(1,5-dihydroxy-4-oxo-2-pyridyl)methyl-methyl-amino]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-[[(1,5-dihydroxy-4-keto-2-pyridyl)methyl-methyl-amino]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 7-((2-aminothiazol-4-yl)-2-(1-carboxy-1-methyl)ethoxyiminoacetamido)-3-(n-(1,5-dihydroxy-4-pyridon-2-yl)methyl-n-methyl)aminomethyl-3-cephem-4-carboxylic acid
  • cp-6232
CAS Number(s)
  • 141562-38-1
InChIKey BBZPABARXLGGGW-FDTSAXHYSA-N
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