(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-(Methoxyimino)Acetyl]Amino}-8-Oxo-3-[({1-[2-(Sulfoamino)Ethyl]-1H-Tetrazol-5-Yl}Sulfanyl)Methyl]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C17H20N10O8S4
IUPAC Name (6r,7r)-7-[[(2z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-3-[[1-[2-(sulfoamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 620.663 g·mol−1
Heat of Formation -595.3 ± 16.7 kJ·mol−1
Dipole Moment 8.05 ± 1.08 D
Volume 631.75 Å 3
Surface Area 490.55 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7r)-7-[[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-3-[[1-[2-(sulfoamino)ethyl]-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-[[1-[2-(sulfoamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-3-[[[1-[2-(sulfoamino)ethyl]-5-tetrazolyl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-keto-3-[[[1-[2-(sulfoamino)ethyl]tetrazol-5-yl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-3-[[1-[2-(sulfoamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-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)-8-oxo-3-(((1-(2-(sulfoamino)ethyl)-1h-tetrazol-5-yl)thio)methyl)-, (6r-(6alpha,7beta(z)))-
  • 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-3-[[[1-[2-(sulfoamino)ethyl]-1h-tetrazol-5-yl]thio]methyl]-, (6r,7r)-
  • 7-((2-amino-4-thiazolyl)(methoxyimino)acetylamino)-3-(((1-(2-sulfaminoethyl)-1h-tetrazol-5-yl)thio)methyl)-3-cephem-4-carboxylic acid
  • sk&f 88070
  • skf 88070
CAS Number(s)
  • 80994-53-2
InChIKey ARWJIPOQKKRGCN-UPRLUYEASA-N
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