(5R,6R)-3-{(R)-[(E)-2-Acetamidovinyl]Sulfinyl}-6-(2-Hydroxy-2-Propanyl)-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C14H18N2O6S
IUPAC Name (5r,6r)-3-[(r)-[(e)-2-acetamidovinyl]sulfinyl]-6-(1-hydroxy-1-methyl-ethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Mass 342.368 g·mol−1
Heat of Formation -861.5 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 384.22 Å 3
Surface Area 334.19 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,6r)-3-[(r)-[(e)-2-acetamidoethenyl]sulfinyl]-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6r)-3-[(r)-[(e)-2-acetamidovinyl]sulfinyl]-6-(1-hydroxy-1-methyl-ethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6r)-3-[(r)-[(e)-2-acetamidovinyl]sulfinyl]-6-(1-hydroxy-1-methyl-ethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6r)-3-[(r)-[(e)-2-acetamidovinyl]sulfinyl]-6-(1-hydroxy-1-methylethyl)-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)sulfinyl)-6-(1-hydroxy-1-methylethyl)-7-oxo-, (5r-(3(r*(e)),5alpha,6beta))-
  • c 19393 h(2)
  • c-19393 h(2)
  • carpetimycin a
CAS Number(s)
  • 76025-73-5
InChIKey FWWJFXYMDLTDNO-BBCPMLLOSA-N
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