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CHEBI:127619 - (6R,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 IDCHEBI:127619
ChEBI Name(6R,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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DownloadsMolfile
FormulaC23H23N3O4
Net Charge0
Average Mass405.454
Monoisotopic Mass405.16886
SMILESCOCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccncc4)C[C@@H]23)cc1
InChIInChI=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+/m0/s1
InChIKeyDUFLBGPFMCCCEO-TUNNFDKTSA-N
ChEBI Ontology
Outgoing Relation(s)
(6R,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:127619) is a azetidines (CHEBI:38777)
(6R,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:127619) is a benzenes (CHEBI:22712)
(6R,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:127619) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-39176LINCS