EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:127842 - (2S,3R,4R)-2-cyano-3-[4-(1-cyclohexenyl)phenyl]-N-cyclopentyl-4-(hydroxymethyl)-1-azetidinecarboxamide

ChEBI IDCHEBI:127842
ChEBI Name(2S,3R,4R)-2-cyano-3-[4-(1-cyclohexenyl)phenyl]-N-cyclopentyl-4-(hydroxymethyl)-1-azetidinecarboxamide
Stars
DownloadsMolfile
FormulaC23H29N3O2
Net Charge0
Average Mass379.504
Monoisotopic Mass379.22598
SMILESN#C[C@@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(=O)NC1CCCC1
InChIInChI=1S/C23H29N3O2/c24-14-20-22(18-12-10-17(11-13-18)16-6-2-1-3-7-16)21(15-27)26(20)23(28)25-19-8-4-5-9-19/h6,10-13,19-22,27H,1-5,7-9,15H2,(H,25,28)/t20-,21+,22-/m1/s1
InChIKeyPCZGVGBSCJCBHS-BHIFYINESA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R,4R)-2-cyano-3-[4-(1-cyclohexenyl)phenyl]-N-cyclopentyl-4-(hydroxymethyl)-1-azetidinecarboxamide (CHEBI:127842) is a azetidines (CHEBI:38777)
(2S,3R,4R)-2-cyano-3-[4-(1-cyclohexenyl)phenyl]-N-cyclopentyl-4-(hydroxymethyl)-1-azetidinecarboxamide (CHEBI:127842) is a benzenes (CHEBI:22712)
(2S,3R,4R)-2-cyano-3-[4-(1-cyclohexenyl)phenyl]-N-cyclopentyl-4-(hydroxymethyl)-1-azetidinecarboxamide (CHEBI:127842) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-39398LINCS