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CHEBI:125991 - (6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-4-[(3-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:125991
ChEBI Name(6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-4-[(3-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
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DownloadsMolfile
FormulaC25H25FN2O3
Net Charge0
Average Mass420.484
Monoisotopic Mass420.18492
SMILESO=C(c1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C3=CCCC3)cc1)[C@@H]2CO
InChIInChI=1S/C25H25FN2O3/c26-20-7-3-6-19(12-20)25(31)27-13-21-24(22(15-29)28(21)23(30)14-27)18-10-8-17(9-11-18)16-4-1-2-5-16/h3-4,6-12,21-22,24,29H,1-2,5,13-15H2/t21-,22+,24-/m1/s1
InChIKeyPYTMZFQKCRSVHE-AOHZBQACSA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-4-[(3-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:125991) is a azetidines (CHEBI:38777)
(6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-4-[(3-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:125991) is a benzenes (CHEBI:22712)
(6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-4-[(3-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:125991) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-37558LINCS