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CHEBI:126897 - (6S,7R,8S)-4-(2-cyclopropyl-1-oxoethyl)-7-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:126897
ChEBI Name(6S,7R,8S)-4-(2-cyclopropyl-1-oxoethyl)-7-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
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DownloadsMolfile
FormulaC26H25FN2O3
Net Charge0
Average Mass432.495
Monoisotopic Mass432.18492
SMILESO=C(CC1CC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@H]2C1
InChIInChI=1S/C26H25FN2O3/c27-21-3-1-2-18(12-21)5-4-17-8-10-20(11-9-17)26-22-14-28(24(31)13-19-6-7-19)15-25(32)29(22)23(26)16-30/h1-3,8-12,19,22-23,26,30H,6-7,13-16H2/t22-,23-,26-/m1/s1
InChIKeyKVYFFHXHDYUNDP-JQYIIUTOSA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7R,8S)-4-(2-cyclopropyl-1-oxoethyl)-7-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126897) is a azetidines (CHEBI:38777)
(6S,7R,8S)-4-(2-cyclopropyl-1-oxoethyl)-7-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126897) is a benzenes (CHEBI:22712)
(6S,7R,8S)-4-(2-cyclopropyl-1-oxoethyl)-7-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:126897) is a ring assembly (CHEBI:36820)
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