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CHEBI:127436 - (6S,7R,8R)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-4-(1-oxo-2-phenylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:127436
ChEBI Name(6S,7R,8R)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-4-(1-oxo-2-phenylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
Stars
DownloadsMolfile
FormulaC26H28N2O3
Net Charge0
Average Mass416.521
Monoisotopic Mass416.20999
SMILESCC(C)C#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Cc4ccccc4)CC(=O)N3[C@H]2CO)cc1
InChIInChI=1S/C26H28N2O3/c1-18(2)8-9-19-10-12-21(13-11-19)26-22-15-27(16-25(31)28(22)23(26)17-29)24(30)14-20-6-4-3-5-7-20/h3-7,10-13,18,22-23,26,29H,14-17H2,1-2H3/t22-,23+,26-/m1/s1
InChIKeyQLTLHCXYXFRUOC-MVERNJQCSA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7R,8R)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-4-(1-oxo-2-phenylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127436) is a azetidines (CHEBI:38777)
(6S,7R,8R)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-4-(1-oxo-2-phenylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127436) is a benzenes (CHEBI:22712)
(6S,7R,8R)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-4-(1-oxo-2-phenylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127436) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-38994LINCS