CHEBI:129904 - (6R,7R,8R)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (6R,7R,8R)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one ChEBI ID CHEBI:129904 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 C28H30N2O4 Net Charge 0 Average Mass 458.550 Monoisotopic Mass 458.22056 InChI InChI=1S/C28H30N2O4/c31-19-25-27(22-11-9-21(10-12-22)8-4-7-20-5-2-1-3-6-20)24-17-29(18-26(32)30(24)25)28(33)23-13-15-34-16-14-23/h1-3,5-6,9-12,23-25,27,31H,7,13-19H2/t24-,25-,27+/m0/s1 InChIKey OTPKLDQQMJMGEP-OHSXHVKISA-N SMILES C1COCCC1C(=O)N2C[C@H]3[C@H]([C@@H](N3C(=O)C2)CO)C4=CC=C(C=C4)C#CCC5=CC=CC=C5 ChEBI Ontology Outgoing (6R,7R,8R)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129904) is a aromatic compound (CHEBI:33655) Manual Xref Database LSM-41455 LINCS View more database links