CHEBI:128894 - (6R,7R,8R)-8-(hydroxymethyl)-7-[4-(2-methylphenyl)phenyl]-4-[oxo(pyridin-4-yl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6R,7R,8R)-8-(hydroxymethyl)-7-[4-(2-methylphenyl)phenyl]-4-[oxo(pyridin-4-yl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
ChEBI ID CHEBI:128894
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H25N3O3
Net Charge 0
Average Mass 427.496
Monoisotopic Mass 427.18959
InChI InChI=1S/C26H25N3O3/c1-17-4-2-3-5-21(17)18-6-8-19(9-7-18)25-22-14-28(15-24(31)29(22)23(25)16-30)26(32)20-10-12-27-13-11-20/h2-13,22-23,25,30H,14-16H2,1H3/t22-,23-,25+/m0/s1
InChIKey LURUAEVVSCDZBN-SONWIMMPSA-N
SMILES CC1=CC=CC=C1C2=CC=C(C=C2)[C@@H]3[C@@H]4CN(CC(=O)N4[C@H]3CO)C(=O)C5=CC=NC=C5
ChEBI Ontology
Outgoing (6R,7R,8R)-8-(hydroxymethyl)-7-[4-(2-methylphenyl)phenyl]-4-[oxo(pyridin-4-yl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128894) is a biphenyls (CHEBI:22888)
Manual Xref Database
LSM-40446 LINCS
View more database links