EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:125762 - (6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:125762
ChEBI Name(6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
Stars
DownloadsMolfile
FormulaC24H25FN2O4S
Net Charge0
Average Mass456.539
Monoisotopic Mass456.15191
SMILESO=C1CN(S(=O)(=O)c2cccc(F)c2)C[C@@H]2[C@@H](c3ccc(C4=CCCC4)cc3)[C@H](CO)N12
InChIInChI=1S/C24H25FN2O4S/c25-19-6-3-7-20(12-19)32(30,31)26-13-21-24(22(15-28)27(21)23(29)14-26)18-10-8-17(9-11-18)16-4-1-2-5-16/h3-4,6-12,21-22,24,28H,1-2,5,13-15H2/t21-,22+,24-/m1/s1
InChIKeyDKXZRNXCWOKGFW-AOHZBQACSA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:125762) is a azetidines (CHEBI:38777)
(6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:125762) is a benzenes (CHEBI:22712)
(6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:125762) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-37331LINCS