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

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Properties Simple | Detailed

Formula C11H16N2O3S
IUPAC Name (5r,6r)-3-(2-aminoethylsulfanyl)-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Mass 256.321 g·mol−1
Heat of Formation -381.4 ± 16.7 kJ·mol−1
Dipole Moment 5.95 ± 1.08 D
Volume 302.19 Å 3
Surface Area 267.84 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,6r)-3-(2-aminoethylsulfanyl)-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6r)-3-(2-aminoethylthio)-6-ethyl-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6r)-3-(2-aminoethylthio)-6-ethyl-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-aminoethyl)thio)-6-ethyl-7-oxo-, (5r-cis)-
  • 8-dehydroxythienamycin
  • 8-deshydroxythienamycin
  • antibiotic ns-5
  • ns 5
  • ns-5
CAS Number(s)
  • 74806-75-0
InChIKey PSJNLRROOZKIHF-RNFRBKRXSA-N
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