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CHEBI:95384 - (2S,3R,4S)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile

ChEBI IDCHEBI:95384
ChEBI Name(2S,3R,4S)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile
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FormulaC21H23N3OS
Net Charge0
Average Mass365.502
Monoisotopic Mass365.15618
SMILESCCc1cnc(N2[C@H](C#N)[C@@H](c3ccc(C#CC(C)C)cc3)[C@H]2CO)s1
InChIInChI=1S/C21H23N3OS/c1-4-17-12-23-21(26-17)24-18(11-22)20(19(24)13-25)16-9-7-15(8-10-16)6-5-14(2)3/h7-10,12,14,18-20,25H,4,13H2,1-3H3/t18-,19-,20-/m1/s1
InChIKeyDBBLKINRPPNEJI-VAMGGRTRSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R,4S)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile (CHEBI:95384) is a azetidines (CHEBI:38777)
(2S,3R,4S)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile (CHEBI:95384) is a benzenes (CHEBI:22712)
(2S,3R,4S)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile (CHEBI:95384) is a ring assembly (CHEBI:36820)
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