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CAS 87932-78-3

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5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(formyloxy)phenylacetyl]amino]-8-oxo-, [6R-[6α,7β(R*)]]-

Description:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, with the CAS number 87932-78-3, is a complex organic compound characterized by its bicyclic structure, which includes a sulfur atom (thia) and a nitrogen atom (azabicyclo). This compound features a carboxylic acid functional group, contributing to its acidity and potential reactivity. The presence of various substituents, such as acetyloxy and formyloxy groups, indicates that it may exhibit diverse chemical behavior, including potential interactions with biological systems. The stereochemistry, denoted by the [6R-[6α,7β(R*)]] notation, suggests specific spatial arrangements of atoms that can influence the compound's biological activity and pharmacological properties. Such compounds are often of interest in medicinal chemistry due to their potential therapeutic applications. Overall, the unique structural features and functional groups of this compound may confer specific properties that warrant further investigation in both synthetic and biological contexts.
Formula:C19H18N2O8S
InChI:InChI=1S/C19H18N2O8S/c1-10(23)28-7-12-8-30-18-13(17(25)21(18)14(12)19(26)27)20-16(24)15(29-9-22)11-5-3-2-4-6-11/h2-6,9,13,15,18H,7-8H2,1H3,(H,20,24)(H,26,27)/t13-,15-,18-/m1/s1
InChI key:InChIKey=MSJXQSMNIAQALT-DDUZABMNSA-N
SMILES:C(O)(=O)C=1N2[C@@]([C@H](NC([C@H](OC=O)C3=CC=CC=C3)=O)C2=O)(SCC1COC(C)=O)[H]
Synonyms:
  • (6R-(6alpha,7beta(R*)))-3-(Acetoxymethyl)-7-((formyloxy)phenylacetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(formyloxy)phenylacetyl]amino]-8-oxo-, [6R-[6α,7β(R*)]]-
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