(6R,7S)-7-{[(2E)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-(Hydroxyimino)Acetyl]Amino}-3-Chloro-8-Oxo-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C13H12ClN5O5S
IUPAC Name (6r,7s)-7-[[(2e)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 385.783 g·mol−1
Heat of Formation -443.1 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 392.91 Å 3
Surface Area 310.24 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7s)-7-[[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7s)-7-[[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7s)-7-[[(2e)-2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7s)-7-[[(2e)-2-(2-aminothiazol-4-yl)-2-hydroximino-acetyl]amino]-3-chloro-8-keto-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7s)-7-[[(2e)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 7-(((2-amino-4-thiazolyl)hydroximinoacetyl)amino)-3-chloro-1-carba-1-dethia-3-cephem-4-carboxylic acid
  • ly 215890
  • ly-215890
CAS Number(s)
  • 153502-35-3
InChIKey FIWZSPHSVMRFPH-NPBNKCFNSA-N
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