CHEBI:102624 - (2S,3S,4R)-4-(hydroxymethyl)-1-[1-oxo-3-(1-piperidinyl)propyl]-3-phenyl-2-azetidinecarbonitrile

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ChEBI Name (2S,3S,4R)-4-(hydroxymethyl)-1-[1-oxo-3-(1-piperidinyl)propyl]-3-phenyl-2-azetidinecarbonitrile
ChEBI ID CHEBI:102624
Stars This entity has been manually annotated by a third party.
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Formula C19H25N3O2
Net Charge 0
Average Mass 327.421
Monoisotopic Mass 327.19468
InChI InChI=1S/C19H25N3O2/c20-13-16-19(15-7-3-1-4-8-15)17(14-23)22(16)18(24)9-12-21-10-5-2-6-11-21/h1,3-4,7-8,16-17,19,23H,2,5-6,9-12,14H2/t16-,17+,19+/m1/s1
InChIKey DNWBFORDJWKZCR-AOIWGVFYSA-N
SMILES C1CCN(CC1)CCC(=O)N2[C@H]([C@H]([C@H]2C#N)C3=CC=CC=C3)CO
ChEBI Ontology
Outgoing (2S,3S,4R)-4-(hydroxymethyl)-1-[1-oxo-3-(1-piperidinyl)propyl]-3-phenyl-2-azetidinecarbonitrile (CHEBI:102624) has functional parent β-amino acid (CHEBI:33706)
(2S,3S,4R)-4-(hydroxymethyl)-1-[1-oxo-3-(1-piperidinyl)propyl]-3-phenyl-2-azetidinecarbonitrile (CHEBI:102624) is a organonitrogen compound (CHEBI:35352)
(2S,3S,4R)-4-(hydroxymethyl)-1-[1-oxo-3-(1-piperidinyl)propyl]-3-phenyl-2-azetidinecarbonitrile (CHEBI:102624) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
LSM-13971 LINCS
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