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CHEBI:128293 - (6S,7R,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:128293
ChEBI Name(6S,7R,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
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DownloadsMolfile
FormulaC28H29FN2O3
Net Charge0
Average Mass460.549
Monoisotopic Mass460.21622
SMILESO=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@H]2C1
InChIInChI=1S/C28H29FN2O3/c29-23-14-12-22(13-15-23)28(34)30-16-24-27(25(18-32)31(24)26(33)17-30)21-10-8-20(9-11-21)7-3-6-19-4-1-2-5-19/h8-15,19,24-25,27,32H,1-2,4-6,16-18H2/t24-,25-,27-/m1/s1
InChIKeyXFRFIHVPRYILDM-RGSZASNESA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7R,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128293) is a azetidines (CHEBI:38777)
(6S,7R,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128293) is a benzenes (CHEBI:22712)
(6S,7R,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128293) is a ring assembly (CHEBI:36820)
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