EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:129265 - (6S,7S,8R)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:129265
ChEBI Name(6S,7S,8R)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
Stars
DownloadsMolfile
FormulaC21H24N2O4
Net Charge0
Average Mass368.433
Monoisotopic Mass368.17361
SMILESCOCC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO
InChIInChI=1S/C21H24N2O4/c1-27-13-20(26)22-10-17-21(18(12-24)23(17)19(25)11-22)16-8-6-15(7-9-16)5-4-14-2-3-14/h6-9,14,17-18,21,24H,2-3,10-13H2,1H3/t17-,18+,21+/m1/s1
InChIKeyKVDPTJOHHVUPNF-LQWHRVPQSA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,7S,8R)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129265) is a azetidines (CHEBI:38777)
(6S,7S,8R)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129265) is a benzenes (CHEBI:22712)
(6S,7S,8R)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129265) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-40816LINCS