(6R,7R)-7-({(2E)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-[(Carboxymethoxy)Imino]Acetyl}Amino)-3-{[(1-Methyl-6,7-Dihydro-5H-Cyclopenta[B]Pyridinium-4-Yl)Sulfanyl]Methyl}-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C24H24N6O7S3
IUPAC Name (6r,7r)-7-[[(2e)-2-(2-aminothiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-[(1-methyl-6,7-dihydro-5h-cyclopenta[b]pyridin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Mass 604.678 g·mol−1
Heat of Formation -494.5 ± 16.7 kJ·mol−1
Dipole Moment 10.48 ± 1.08 D
Volume 642.88 Å 3
Surface Area 453.05 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7r)-7-[[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)acetyl]amino]-3-[(1-methyl-6,7-dihydro-5h-cyclopenta[b]pyridin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • (6r,7r)-7-[[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)ethanoyl]amino]-3-[(1-methyl-6,7-dihydro-5h-cyclopenta[b]pyridin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • (6r,7r)-7-[[(2e)-2-(2-amino-4-thiazolyl)-2-(carboxymethyloxyimino)-1-oxoethyl]amino]-3-[[(1-methyl-6,7-dihydro-5h-cyclopenta[b]pyridin-1-ium-4-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • (6r,7r)-7-[[(2e)-2-(2-aminothiazol-4-yl)-2-(carboxymethyloxyimino)acetyl]amino]-3-[(1-methyl-6,7-dihydro-5h-cyclopenta[b]pyridin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • (6r,7r)-7-[[(2e)-2-(2-aminothiazol-4-yl)-2-(carboxymethyloxyimino)acetyl]amino]-8-keto-3-[[(1-methyl-1-pyrindan-1-ium-4-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • 5h-1-pyrindinium, 4-(((7-(((2-amino-4-thiazolyl)((carboxymethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-6,7-dihydro-1-methyl-, hydroxide, inner salt, (6r-(6alpha,7beta(z)))-
  • 5h-1-pyrindinium, 6,7-dihydro-4-(((7-(((2-amino-4-thiazolyl)((carboxymethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-methyl-, hydroxide, inner salt, (6r-(6-alpha,7-beta(z)))-
  • me 1221
  • mt 520
CAS Number(s)
  • 101233-99-2
InChIKey KAYODKQGOPMBKS-WEQDFQRJSA-N
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