(6R,7R)-7-{[(5R)-5-Amino-5-Carboxypentanoyl]Amino}-3-[(Carbamoyloxy)Methyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C15H20N4O8S
IUPAC Name (6r,7r)-7-[[(5r)-5-amino-5-carboxy-pentanoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 416.406 g·mol−1
Heat of Formation -1279.9 ± 16.7 kJ·mol−1
Dipole Moment 3.13 ± 1.08 D
Volume 464.26 Å 3
Surface Area 389.82 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7r)-3-(aminocarbonyloxymethyl)-7-[[(5r)-5-amino-6-hydroxy-6-oxo-hexanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(5r)-5-amino-6-hydroxy-1,6-dioxohexyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(5r)-5-amino-6-hydroxy-6-keto-hexanoyl]amino]-3-(carbamoyloxymethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(5r)-5-amino-6-hydroxy-6-oxo-hexanoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (7-(5-amino-5-carboxyvaleramido)-3-carbamoyloxymethyl-3-cephem-4-carboxylic acid)
  • 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((aminocarbonyl)oxy)methyl)-7-((5-amino-5-carboxy-1-oxopentyl)amino)-8-oxo-, (6r-(6alpha,7beta(r*)))-
  • o-carbamoyl-deacetylcephalosporin c
CAS Number(s)
  • 60831-57-4
InChIKey LSRDVUINCBDNAZ-JWKOBGCHSA-N
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