EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:126554 - (2S,3S,4R)-2-cyano-3-[2-(1-cyclohexenyl)phenyl]-N-cyclohexyl-4-(hydroxymethyl)-1-azetidinecarboxamide

ChEBI IDCHEBI:126554
ChEBI Name(2S,3S,4R)-2-cyano-3-[2-(1-cyclohexenyl)phenyl]-N-cyclohexyl-4-(hydroxymethyl)-1-azetidinecarboxamide
Stars
DownloadsMolfile
FormulaC24H31N3O2
Net Charge0
Average Mass393.531
Monoisotopic Mass393.24163
SMILESN#C[C@@H]1[C@H](c2ccccc2C2=CCCCC2)[C@H](CO)N1C(=O)NC1CCCCC1
InChIInChI=1S/C24H31N3O2/c25-15-21-23(20-14-8-7-13-19(20)17-9-3-1-4-10-17)22(16-28)27(21)24(29)26-18-11-5-2-6-12-18/h7-9,13-14,18,21-23,28H,1-6,10-12,16H2,(H,26,29)/t21-,22+,23+/m1/s1
InChIKeyJUQJYDYSSKEAPO-VJBWXMMDSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4R)-2-cyano-3-[2-(1-cyclohexenyl)phenyl]-N-cyclohexyl-4-(hydroxymethyl)-1-azetidinecarboxamide (CHEBI:126554) is a azetidines (CHEBI:38777)
(2S,3S,4R)-2-cyano-3-[2-(1-cyclohexenyl)phenyl]-N-cyclohexyl-4-(hydroxymethyl)-1-azetidinecarboxamide (CHEBI:126554) is a benzenes (CHEBI:22712)
(2S,3S,4R)-2-cyano-3-[2-(1-cyclohexenyl)phenyl]-N-cyclohexyl-4-(hydroxymethyl)-1-azetidinecarboxamide (CHEBI:126554) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-38118LINCS