CHEBI:128590 - 4-[4-[(6S,7S,8R)-8-(hydroxymethyl)-2-oxo-4-(1-oxopropyl)-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 4-[4-[(6S,7S,8R)-8-(hydroxymethyl)-2-oxo-4-(1-oxopropyl)-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile ChEBI ID CHEBI:128590 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C23H23N3O3 Net Charge 0 Average Mass 389.448 Monoisotopic Mass 389.17394 InChI InChI=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 InChIKey DEKGAOOYVBFWKT-QTEQDKRBSA-N SMILES CCC(=O)N1C[C@@H]2[C@@H]([C@@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N ChEBI Ontology Outgoing 4-[4-[(6S,7S,8R)-8-(hydroxymethyl)-2-oxo-4-(1-oxopropyl)-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile (CHEBI:128590) is a biphenyls (CHEBI:22888) 4-[4-[(6S,7S,8R)-8-(hydroxymethyl)-2-oxo-4-(1-oxopropyl)-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile (CHEBI:128590) is a nitrile (CHEBI:18379) Manual Xref Database LSM-40144 LINCS View more database links