CHEBI:129247 - (6R,7R,8S)-8-(hydroxymethyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

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ChEBI Name (6R,7R,8S)-8-(hydroxymethyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
ChEBI ID CHEBI:129247
Stars This entity has been manually annotated by a third party.
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Formula C20H19N3O2
Net Charge 0
Average Mass 333.385
Monoisotopic Mass 333.14773
InChI InChI=1S/C20H19N3O2/c24-13-18-20(17-11-22-12-19(25)23(17)18)16-7-5-14(6-8-16)3-4-15-2-1-9-21-10-15/h1-2,5-10,17-18,20,22,24H,11-13H2/t17-,18+,20+/m0/s1
InChIKey RZJWPJAQJJGICA-NLWGTHIKSA-N
SMILES C1[C@H]2[C@H]([C@H](N2C(=O)CN1)CO)C3=CC=C(C=C3)C#CC4=CN=CC=C4
ChEBI Ontology
Outgoing (6R,7R,8S)-8-(hydroxymethyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129247) is a azetidines (CHEBI:38777)
(6R,7R,8S)-8-(hydroxymethyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129247) is a benzenes (CHEBI:22712)
(6R,7R,8S)-8-(hydroxymethyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129247) is a ring assembly (CHEBI:36820)
Manual Xref Database
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