EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:99191 - (2S,3S,4S)-2-cyano-N-cyclohexyl-4-(hydroxymethyl)-3-[4-(4-methoxyphenyl)phenyl]-1-azetidinecarboxamide

ChEBI IDCHEBI:99191
ChEBI Name(2S,3S,4S)-2-cyano-N-cyclohexyl-4-(hydroxymethyl)-3-[4-(4-methoxyphenyl)phenyl]-1-azetidinecarboxamide
Stars
DownloadsMolfile
FormulaC25H29N3O3
Net Charge0
Average Mass419.525
Monoisotopic Mass419.22089
SMILESCOc1ccc(-c2ccc([C@H]3[C@@H](C#N)N(C(=O)NC4CCCCC4)[C@@H]3CO)cc2)cc1
InChIInChI=1S/C25H29N3O3/c1-31-21-13-11-18(12-14-21)17-7-9-19(10-8-17)24-22(15-26)28(23(24)16-29)25(30)27-20-5-3-2-4-6-20/h7-14,20,22-24,29H,2-6,16H2,1H3,(H,27,30)/t22-,23-,24+/m1/s1
InChIKeyUEJLJRRJJUOYFY-SMIHKQSGSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4S)-2-cyano-N-cyclohexyl-4-(hydroxymethyl)-3-[4-(4-methoxyphenyl)phenyl]-1-azetidinecarboxamide (CHEBI:99191) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-10570LINCS