CHEBI:101769 - (2R,3R,4S)-2-cyano-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide

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ChEBI Name (2R,3R,4S)-2-cyano-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide
ChEBI ID CHEBI:101769
Stars This entity has been manually annotated by a third party.
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Formula C21H27N3O2
Net Charge 0
Average Mass 353.459
Monoisotopic Mass 353.21033
InChI InChI=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+/m0/s1
InChIKey BSUDBHASFVKNIG-XUVXKRRUSA-N
SMILES CCCNC(=O)N1[C@@H]([C@@H]([C@@H]1C#N)C2=CC=C(C=C2)C3=CCCCC3)CO
ChEBI Ontology
Outgoing (2R,3R,4S)-2-cyano-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide (CHEBI:101769) is a azetidines (CHEBI:38777)
(2R,3R,4S)-2-cyano-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide (CHEBI:101769) is a benzenes (CHEBI:22712)
(2R,3R,4S)-2-cyano-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide (CHEBI:101769) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-13131 LINCS
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