Cefsumide

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Properties Simple | Detailed

Formula C17H20N4O6S2
IUPAC Name (6r,7r)-7-[[(2r)-2-amino-2-[3-(methanesulfonamido)phenyl]acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 440.494 g·mol−1
Heat of Formation -806.3 ± 16.7 kJ·mol−1
Dipole Moment 8.15 ± 1.08 D
Volume 477.14 Å 3
Surface Area 353.62 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7r)-7-((2r)-2-amino-2-(m-methanesulfonamidophenyl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2r)-2-amino-2-(3-methanesulfonamidophenyl)-1-oxoethyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2r)-2-amino-2-(3-methanesulfonamidophenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2r)-2-amino-2-(3-methanesulfonamidophenyl)acetyl]amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2r)-2-amino-2-[3-(methylsulfonylamino)phenyl]ethanoyl]amino]-3-methyl-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-((amino(3-((methylsulfonyl)amino)phenyl)acetyl)amino)-3-methyl-8-oxo-, (6r-(6alpha,7beta(r*)))-
  • fr 10612
  • fr-10612
CAS Number(s)
  • 54818-11-0
InChIKey OFKRKCHCYWQZLY-XHBSWPGZSA-N
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