(6R,7R)-7-{[(5R)-5-Ammonio-5-Carboxylatopentanoyl]Amino}-3-(Hydroxymethyl)-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate

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Properties Simple | Detailed

Formula C14H19N3O7S
IUPAC Name (6r,7r)-7-[[(5r)-5-amino-6-hydroxy-6-oxohexanoyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Mass 373.382 g·mol−1
Heat of Formation -867.9 ± 16.7 kJ·mol−1
Dipole Moment 8.06 ± 1.08 D
Volume 405.05 Å 3
Surface Area 361.71 Å 2
Point Group Symmetry C1
Synonyms
  • (6r,7r)-7-[[(5r)-5-amino-6-hydroxy-1,6-dioxohexyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • (6r,7r)-7-[[(5r)-5-amino-6-hydroxy-6-keto-hexanoyl]amino]-8-keto-3-methylol-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • (6r,7r)-7-[[(5r)-5-amino-6-hydroxy-6-oxo-hexanoyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
InChIKey XWCFYHBHOFBVIV-JWKOBGCHSA-M
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