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CHEBI:127114 - (6R,7R,8R)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:127114
ChEBI Name(6R,7R,8R)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
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DownloadsMolfile
FormulaC22H21FN2O4S
Net Charge0
Average Mass428.485
Monoisotopic Mass428.12061
SMILESCS(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1
InChIInChI=1S/C22H21FN2O4S/c1-30(28,29)24-12-19-22(20(14-26)25(19)21(27)13-24)17-8-4-15(5-9-17)2-3-16-6-10-18(23)11-7-16/h4-11,19-20,22,26H,12-14H2,1H3/t19-,20-,22+/m0/s1
InChIKeyDUYFFANIOYJIMN-JAXLGGSGSA-N
ChEBI Ontology
Outgoing Relation(s)
(6R,7R,8R)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127114) is a azetidines (CHEBI:38777)
(6R,7R,8R)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127114) is a benzenes (CHEBI:22712)
(6R,7R,8R)-7-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127114) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-38676LINCS