CHEBI:114822 - (2S,3R,4S)-1-[cyclopentyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile

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ChEBI Name (2S,3R,4S)-1-[cyclopentyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
ChEBI ID CHEBI:114822
Stars This entity has been manually annotated by a third party.
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Formula C17H20N2O2
Net Charge 0
Average Mass 284.354
Monoisotopic Mass 284.15248
InChI InChI=1S/C17H20N2O2/c18-10-14-16(12-6-2-1-3-7-12)15(11-20)19(14)17(21)13-8-4-5-9-13/h1-3,6-7,13-16,20H,4-5,8-9,11H2/t14-,15-,16-/m1/s1
InChIKey RUNWFOIXOHBRTB-BZUAXINKSA-N
SMILES C1CCC(C1)C(=O)N2[C@@H]([C@@H]([C@H]2C#N)C3=CC=CC=C3)CO
ChEBI Ontology
Outgoing (2S,3R,4S)-1-[cyclopentyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile (CHEBI:114822) is a azetidines (CHEBI:38777)
(2S,3R,4S)-1-[cyclopentyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile (CHEBI:114822) is a benzenes (CHEBI:22712)
(2S,3R,4S)-1-[cyclopentyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile (CHEBI:114822) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-26284 LINCS
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