EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:100437 - (2R,3S,4S)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile

ChEBI IDCHEBI:100437
ChEBI Name(2R,3S,4S)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile
Stars
DownloadsMolfile
FormulaC18H18N2O3S
Net Charge0
Average Mass342.420
Monoisotopic Mass342.10381
SMILESN#C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C18H18N2O3S/c19-11-16-18(15-9-5-2-6-10-15)17(12-21)20(16)24(22,23)13-14-7-3-1-4-8-14/h1-10,16-18,21H,12-13H2/t16-,17+,18-/m0/s1
InChIKeySEDZELNMUHOWSZ-KSZLIROESA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S,4S)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile (CHEBI:100437) is a azetidines (CHEBI:38777)
(2R,3S,4S)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile (CHEBI:100437) is a benzenes (CHEBI:22712)
(2R,3S,4S)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile (CHEBI:100437) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-11812LINCS