EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130751 - (6R,7R,8S)-4-[cyclohexyl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI IDCHEBI:130751
ChEBI Name(6R,7R,8S)-4-[cyclohexyl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
Stars
DownloadsMolfile
FormulaC24H30N2O4
Net Charge0
Average Mass410.514
Monoisotopic Mass410.22056
SMILESCOCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)C4CCCCC4)C[C@@H]23)cc1
InChIInChI=1S/C24H30N2O4/c1-30-13-5-6-17-9-11-18(12-10-17)23-20-14-25(15-22(28)26(20)21(23)16-27)24(29)19-7-3-2-4-8-19/h9-12,19-21,23,27H,2-4,7-8,13-16H2,1H3/t20-,21+,23+/m0/s1
InChIKeyKDYLLPKCSGYBGM-QZNHQXDQSA-N
ChEBI Ontology
Outgoing Relation(s)
(6R,7R,8S)-4-[cyclohexyl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130751) is a azetidines (CHEBI:38777)
(6R,7R,8S)-4-[cyclohexyl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130751) is a benzenes (CHEBI:22712)
(6R,7R,8S)-4-[cyclohexyl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130751) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-42300LINCS