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CHEBI:98361 - (2S,3S,4S)-4-(hydroxymethyl)-3-[4-(3-methoxyprop-1-ynyl)phenyl]-1-(2-phenylacetyl)azetidine-2-carbonitrile

ChEBI IDCHEBI:98361
ChEBI Name(2S,3S,4S)-4-(hydroxymethyl)-3-[4-(3-methoxyprop-1-ynyl)phenyl]-1-(2-phenylacetyl)azetidine-2-carbonitrile
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FormulaC23H22N2O3
Net Charge0
Average Mass374.440
Monoisotopic Mass374.16304
SMILESCOCC#Cc1ccc([C@H]2[C@@H](C#N)N(C(=O)Cc3ccccc3)[C@@H]2CO)cc1
InChIInChI=1S/C23H22N2O3/c1-28-13-5-8-17-9-11-19(12-10-17)23-20(15-24)25(21(23)16-26)22(27)14-18-6-3-2-4-7-18/h2-4,6-7,9-12,20-21,23,26H,13-14,16H2,1H3/t20-,21-,23+/m1/s1
InChIKeyZCPNEUJBLOUKDH-XPNTWCBSSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4S)-4-(hydroxymethyl)-3-[4-(3-methoxyprop-1-ynyl)phenyl]-1-(2-phenylacetyl)azetidine-2-carbonitrile (CHEBI:98361) is a azetidines (CHEBI:38777)
(2S,3S,4S)-4-(hydroxymethyl)-3-[4-(3-methoxyprop-1-ynyl)phenyl]-1-(2-phenylacetyl)azetidine-2-carbonitrile (CHEBI:98361) is a benzenes (CHEBI:22712)
(2S,3S,4S)-4-(hydroxymethyl)-3-[4-(3-methoxyprop-1-ynyl)phenyl]-1-(2-phenylacetyl)azetidine-2-carbonitrile (CHEBI:98361) is a ring assembly (CHEBI:36820)
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