CHEBI:127888 - (6S,7S,8R)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[2-(4-morpholinyl)-1-oxoethyl]-1,4-diazabicyclo[4.2.0]octan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6S,7S,8R)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[2-(4-morpholinyl)-1-oxoethyl]-1,4-diazabicyclo[4.2.0]octan-2-one
ChEBI ID CHEBI:127888
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H28FN3O4
Net Charge 0
Average Mass 453.507
Monoisotopic Mass 453.20638
InChI InChI=1S/C25H28FN3O4/c26-20-3-1-2-19(12-20)17-4-6-18(7-5-17)25-21-13-28(15-24(32)29(21)22(25)16-30)23(31)14-27-8-10-33-11-9-27/h1-7,12,21-22,25,30H,8-11,13-16H2/t21-,22+,25+/m1/s1
InChIKey RQPOLBJBOCWUQJ-SLSDLSHTSA-N
SMILES C1COCCN1CC(=O)N2C[C@@H]3[C@@H]([C@@H](N3C(=O)C2)CO)C4=CC=C(C=C4)C5=CC(=CC=C5)F
ChEBI Ontology
Outgoing (6S,7S,8R)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[2-(4-morpholinyl)-1-oxoethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127888) is a biphenyls (CHEBI:22888)
Manual Xref Database
LSM-39444 LINCS
View more database links