(5R,6R)-3-[(2-Acetamidoethyl)Sulfanyl]-6-Isopropyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C14H20N2O4S
IUPAC Name (5r,6r)-3-(2-acetamidoethylsulfanyl)-6-isopropyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Mass 312.385 g·mol−1
Heat of Formation -627.8 ± 16.7 kJ·mol−1
Dipole Moment 5.40 ± 1.08 D
Volume 374.72 Å 3
Surface Area 326.14 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,6r)-3-(2-acetamidoethylsulfanyl)-6-isopropyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6r)-3-(2-acetamidoethylsulfanyl)-7-oxo-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6r)-3-(2-acetamidoethylthio)-6-isopropyl-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6r)-3-(2-acetamidoethylthio)-6-isopropyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • 1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-(acetylamino)ethenyl)thio)-6-(1-methylethyl)-7-oxo-, (5r-cis)-
  • 1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-(acetylamino)ethyl)thio)-6-(1-methylethyl)-7-oxo-, (5r-cis)-
  • antibiotic ps 6
  • antibiotic ps6
CAS Number(s)
  • 72615-19-1
InChIKey SUMQHCXEWHRKGG-MWLCHTKSSA-N
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