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CHEBI:127974 - (6S,7R,8S)-4-[(2-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:127974
ChEBI Name(6S,7R,8S)-4-[(2-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
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DownloadsMolfile
FormulaC28H23FN2O3
Net Charge0
Average Mass454.501
Monoisotopic Mass454.16927
SMILESO=C(c1ccccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1
InChIInChI=1S/C28H23FN2O3/c29-23-9-5-4-8-22(23)28(34)30-16-24-27(25(18-32)31(24)26(33)17-30)21-14-12-20(13-15-21)11-10-19-6-2-1-3-7-19/h1-9,12-15,24-25,27,32H,16-18H2/t24-,25-,27-/m1/s1
InChIKeyJVSILEAOSOYGNI-RGSZASNESA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7R,8S)-4-[(2-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127974) is a azetidines (CHEBI:38777)
(6S,7R,8S)-4-[(2-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127974) is a benzenes (CHEBI:22712)
(6S,7R,8S)-4-[(2-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127974) is a ring assembly (CHEBI:36820)
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