4-Carbamoyl-1-{[(6R,7R)-2-Carboxy-8-Oxo-7-{[(2R)-2-Phenyl-2-Sulfoacetyl]Amino}-5-Thia-1-Azabicyclo[4.2.0]Oct-2-En-3-Yl]Methyl}Pyridinium

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Properties Simple | Detailed

Formula C22H21N4O8S2+
IUPAC Name (6r,7r)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2r)-2-phenyl-2-sulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 533.554 g·mol−1
Heat of Formation -943.2 ± 16.7 kJ·mol−1
Dipole Moment 6.44 ± 1.08 D
Volume 570.19 Å 3
Surface Area 463.04 Å 2
Point Group Symmetry C1
Synonyms
  • (6r,7r)-3-[(4-aminocarbonylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2r)-2-phenyl-2-sulfo-ethanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-3-[(4-carbamoyl-1-pyridin-1-iumyl)methyl]-8-oxo-7-[[(2r)-1-oxo-2-phenyl-2-sulfoethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-keto-7-[[(2r)-2-phenyl-2-sulfo-acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2r)-2-phenyl-2-sulfo-acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKey SYLKGLMBLAAGSC-QLVMHMETSA-O
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