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CHEBI:129161 - (6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:129161
ChEBI Name(6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one
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DownloadsMolfile
FormulaC25H27N3O3
Net Charge0
Average Mass417.509
Monoisotopic Mass417.20524
SMILESO=C(Cc1cccnc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C3=CCCC3)cc1)[C@@H]2CO
InChIInChI=1S/C25H27N3O3/c29-16-22-25(20-9-7-19(8-10-20)18-5-1-2-6-18)21-14-27(15-24(31)28(21)22)23(30)12-17-4-3-11-26-13-17/h3-5,7-11,13,21-22,25,29H,1-2,6,12,14-16H2/t21-,22+,25-/m1/s1
InChIKeyXHCHUQOIHADEEW-OTNCWRBYSA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129161) is a azetidines (CHEBI:38777)
(6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129161) is a benzenes (CHEBI:22712)
(6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129161) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
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