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CHEBI:95458 - (2S,3S,4R)-2-cyano-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide

ChEBI IDCHEBI:95458
ChEBI Name(2S,3S,4R)-2-cyano-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide
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FormulaC21H27N3O2
Net Charge0
Average Mass353.466
Monoisotopic Mass353.21033
SMILESCCCNC(=O)N1[C@H](C#N)[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H]1CO
InChIInChI=1S/C21H27N3O2/c1-2-12-23-21(26)24-18(13-22)20(19(24)14-25)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h6,8-11,18-20,25H,2-5,7,12,14H2,1H3,(H,23,26)/t18-,19+,20+/m1/s1
InChIKeyBSUDBHASFVKNIG-AABGKKOBSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4R)-2-cyano-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide (CHEBI:95458) is a azetidines (CHEBI:38777)
(2S,3S,4R)-2-cyano-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide (CHEBI:95458) is a benzenes (CHEBI:22712)
(2S,3S,4R)-2-cyano-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide (CHEBI:95458) is a ring assembly (CHEBI:36820)
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