(6R,7R)-7-{[(2E)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-(Methoxyimino)Acetyl]Amino}-3-[({[1-Cyclopropyl-6-Fluoro-4-Oxo-7-(1-Piperazinyl)-1,4-Dihydro-3-Quinolinyl]Carbonyl}Oxy)Methyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C14H50FN8O8S2+
IUPAC Name (6r,7r)-7-[[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carbonyl)oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 541.724 g·mol−1
Heat of Formation -695.3 ± 16.7 kJ·mol−1
Dipole Moment 10.57 ± 1.08 D
Volume 777.57 Å 3
Surface Area 650.77 Å 2
HOMO Energy -8.60 ± 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-methoxyimino-ethanoyl]amino]-3-[(1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinolin-3-yl)carbonyloxymethyl]-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-methoxyimino-1-oxoethyl]amino]-3-[[[1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolyl]-oxomethoxy]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-methoxyimino-acetyl]amino]-3-[(1-cyclopropyl-6-fluoro-4-keto-7-piperazin-1-yl-quinoline-3-carbonyl)oxymethyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2e)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carbonyl)oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-((((1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinyl)(carbonyl)oxy)methyl)-8-oxo-, (6r-(6alpha,7beta(z)))-
  • ro 24-6392
  • ro-24-6392
CAS Number(s)
  • 131149-63-8
InChIKey MPWTZPXSZLWXHL-LJPPBSFJSA-N
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