CHEBI:128478 - (6R,7R,8R)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[(4-methylphenyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6R,7R,8R)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[(4-methylphenyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
ChEBI ID CHEBI:128478
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H27FN2O2
Net Charge 0
Average Mass 430.515
Monoisotopic Mass 430.20566
InChI InChI=1S/C27H27FN2O2/c1-18-6-8-19(9-7-18)14-29-15-24-27(25(17-31)30(24)26(32)16-29)21-12-10-20(11-13-21)22-4-2-3-5-23(22)28/h2-13,24-25,27,31H,14-17H2,1H3/t24-,25-,27+/m0/s1
InChIKey MTLIKKOEYLZGAR-OHSXHVKISA-N
SMILES CC1=CC=C(C=C1)CN2C[C@H]3[C@H]([C@@H](N3C(=O)C2)CO)C4=CC=C(C=C4)C5=CC=CC=C5F
ChEBI Ontology
Outgoing (6R,7R,8R)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[(4-methylphenyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128478) is a biphenyls (CHEBI:22888)
Manual Xref Database
LSM-40032 LINCS
View more database links