EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:99807 - (2S,3S,4S)-4-(hydroxymethyl)-3-[4-(3-methoxyphenyl)phenyl]-1-(1-oxo-2-pyridin-4-ylethyl)-2-azetidinecarbonitrile

ChEBI IDCHEBI:99807
ChEBI Name(2S,3S,4S)-4-(hydroxymethyl)-3-[4-(3-methoxyphenyl)phenyl]-1-(1-oxo-2-pyridin-4-ylethyl)-2-azetidinecarbonitrile
Stars
DownloadsMolfile
FormulaC25H23N3O3
Net Charge0
Average Mass413.477
Monoisotopic Mass413.17394
SMILESCOc1cccc(-c2ccc([C@H]3[C@@H](C#N)N(C(=O)Cc4ccncc4)[C@@H]3CO)cc2)c1
InChIInChI=1S/C25H23N3O3/c1-31-21-4-2-3-20(14-21)18-5-7-19(8-6-18)25-22(15-26)28(23(25)16-29)24(30)13-17-9-11-27-12-10-17/h2-12,14,22-23,25,29H,13,16H2,1H3/t22-,23-,25+/m1/s1
InChIKeyQYAAHEQVWPVPBC-OYRHQHFDSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4S)-4-(hydroxymethyl)-3-[4-(3-methoxyphenyl)phenyl]-1-(1-oxo-2-pyridin-4-ylethyl)-2-azetidinecarbonitrile (CHEBI:99807) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-11186LINCS