CHEBI:125865 - (6S,7S,8S)-8-(hydroxymethyl)-7-[4-(4-methoxyphenyl)phenyl]-4-[1-oxo-2-(2-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one

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ChEBI Name (6S,7S,8S)-8-(hydroxymethyl)-7-[4-(4-methoxyphenyl)phenyl]-4-[1-oxo-2-(2-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one
ChEBI ID CHEBI:125865
Stars This entity has been manually annotated by a third party.
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Formula C27H27N3O4
Net Charge 0
Average Mass 457.522
Monoisotopic Mass 457.20016
InChI InChI=1S/C27H27N3O4/c1-34-22-11-9-19(10-12-22)18-5-7-20(8-6-18)27-23-15-29(16-26(33)30(23)24(27)17-31)25(32)14-21-4-2-3-13-28-21/h2-13,23-24,27,31H,14-17H2,1H3/t23-,24-,27+/m1/s1
InChIKey DFATUARXDJAGGJ-OASJLCFRSA-N
SMILES COC1=CC=C(C=C1)C2=CC=C(C=C2)[C@H]3[C@H]4CN(CC(=O)N4[C@@H]3CO)C(=O)CC5=CC=CC=N5
ChEBI Ontology
Outgoing (6S,7S,8S)-8-(hydroxymethyl)-7-[4-(4-methoxyphenyl)phenyl]-4-[1-oxo-2-(2-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:125865) is a biphenyls (CHEBI:22888)
Manual Xref Database
LSM-37432 LINCS
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