CHEBI:129063 - (6S,7R,8S)-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-4-[oxo(pyridin-4-yl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one

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ChEBI Name (6S,7R,8S)-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-4-[oxo(pyridin-4-yl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
ChEBI ID CHEBI:129063
Stars This entity has been manually annotated by a third party.
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Formula C23H23N3O4
Net Charge 0
Average Mass 405.447
Monoisotopic Mass 405.16886
InChI InChI=1S/C23H23N3O4/c1-30-12-2-3-16-4-6-17(7-5-16)22-19-13-25(14-21(28)26(19)20(22)15-27)23(29)18-8-10-24-11-9-18/h4-11,19-20,22,27H,12-15H2,1H3/t19-,20-,22-/m1/s1
InChIKey DUFLBGPFMCCCEO-KCZVDYSFSA-N
SMILES COCC#CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)C4=CC=NC=C4
ChEBI Ontology
Outgoing (6S,7R,8S)-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-4-[oxo(pyridin-4-yl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129063) is a azetidines (CHEBI:38777)
(6S,7R,8S)-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-4-[oxo(pyridin-4-yl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129063) is a benzenes (CHEBI:22712)
(6S,7R,8S)-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-4-[oxo(pyridin-4-yl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129063) is a ring assembly (CHEBI:36820)
Manual Xref Database
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