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CHEBI:126841 - 4-[4-[(6S,7S,8S)-8-(hydroxymethyl)-2-oxo-4-(1-oxopropyl)-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile

ChEBI IDCHEBI:126841
ChEBI Name4-[4-[(6S,7S,8S)-8-(hydroxymethyl)-2-oxo-4-(1-oxopropyl)-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile
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FormulaC23H23N3O3
Net Charge0
Average Mass389.455
Monoisotopic Mass389.17394
SMILESCCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]2C1
InChIInChI=1S/C23H23N3O3/c1-2-21(28)25-12-19-23(20(14-27)26(19)22(29)13-25)18-9-7-17(8-10-18)16-5-3-15(11-24)4-6-16/h3-10,19-20,23,27H,2,12-14H2,1H3/t19-,20-,23+/m1/s1
InChIKeyDEKGAOOYVBFWKT-VIZSFHNOSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[4-[(6S,7S,8S)-8-(hydroxymethyl)-2-oxo-4-(1-oxopropyl)-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile (CHEBI:126841) is a biphenyls (CHEBI:22888)
4-[4-[(6S,7S,8S)-8-(hydroxymethyl)-2-oxo-4-(1-oxopropyl)-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile (CHEBI:126841) is a nitrile (CHEBI:18379)
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