CHEBI:125859 - (6R,7S,8R)-N-(2-fluorophenyl)-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6R,7S,8R)-N-(2-fluorophenyl)-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
ChEBI ID CHEBI:125859
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H24FN3O4
Net Charge 0
Average Mass 437.464
Monoisotopic Mass 437.17508
InChI InChI=1S/C24H24FN3O4/c1-32-12-4-5-16-8-10-17(11-9-16)23-20-13-27(14-22(30)28(20)21(23)15-29)24(31)26-19-7-3-2-6-18(19)25/h2-3,6-11,20-21,23,29H,12-15H2,1H3,(H,26,31)/t20-,21-,23-/m0/s1
InChIKey JQIVWCFXIXDPKG-FUDKSRODSA-N
SMILES COCC#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CC(=O)N3[C@H]2CO)C(=O)NC4=CC=CC=C4F
ChEBI Ontology
Outgoing (6R,7S,8R)-N-(2-fluorophenyl)-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:125859) is a azetidines (CHEBI:38777)
(6R,7S,8R)-N-(2-fluorophenyl)-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:125859) is a benzenes (CHEBI:22712)
(6R,7S,8R)-N-(2-fluorophenyl)-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:125859) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-37426 LINCS
View more database links