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CHEBI:127585 - (6S,7R,8R)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-4-(1-oxopropyl)-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:127585
ChEBI Name(6S,7R,8R)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-4-(1-oxopropyl)-1,4-diazabicyclo[4.2.0]octan-2-one
Stars
DownloadsMolfile
FormulaC22H28N2O3
Net Charge0
Average Mass368.477
Monoisotopic Mass368.20999
SMILESCCC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCC(C)C)cc1)[C@@H]2CO
InChIInChI=1S/C22H28N2O3/c1-4-20(26)23-12-18-22(19(14-25)24(18)21(27)13-23)17-10-8-16(9-11-17)7-5-6-15(2)3/h8-11,15,18-19,22,25H,4,6,12-14H2,1-3H3/t18-,19+,22-/m1/s1
InChIKeyJEIGSWUEAJXIOX-XQBPLPMBSA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7R,8R)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-4-(1-oxopropyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127585) is a azetidines (CHEBI:38777)
(6S,7R,8R)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-4-(1-oxopropyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127585) is a benzenes (CHEBI:22712)
(6S,7R,8R)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-4-(1-oxopropyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127585) is a ring assembly (CHEBI:36820)
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LSM-39142LINCS