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CHEBI:127606 - (6S,7R,8R)-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:127606
ChEBI Name(6S,7R,8R)-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]3CN(C(=O)c4ccncc4)CC(=O)N3[C@H]2CO)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-/m1/s1
InChIKeyDUFLBGPFMCCCEO-RZUBCFFCSA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7R,8R)-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:127606) is a azetidines (CHEBI:38777)
(6S,7R,8R)-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:127606) is a benzenes (CHEBI:22712)
(6S,7R,8R)-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:127606) is a ring assembly (CHEBI:36820)
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LSM-39163LINCS