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CHEBI:130007 - (6S,7S,8S)-8-(hydroxymethyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:130007
ChEBI Name(6S,7S,8S)-8-(hydroxymethyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
Stars
DownloadsMolfile
FormulaC20H19N3O2
Net Charge0
Average Mass333.391
Monoisotopic Mass333.14773
SMILESO=C1CNC[C@@H]2[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H](CO)N12
InChIInChI=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+/m1/s1
InChIKeyRZJWPJAQJJGICA-GGPKGHCWSA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7S,8S)-8-(hydroxymethyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130007) is a azetidines (CHEBI:38777)
(6S,7S,8S)-8-(hydroxymethyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130007) is a benzenes (CHEBI:22712)
(6S,7S,8S)-8-(hydroxymethyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130007) is a ring assembly (CHEBI:36820)
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