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CHEBI:100694 - (2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile

ChEBI IDCHEBI:100694
ChEBI Name(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile
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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-BZSNNMDCSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile (CHEBI:100694) is a azetidines (CHEBI:38777)
(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile (CHEBI:100694) is a benzenes (CHEBI:22712)
(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile (CHEBI:100694) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-12068LINCS