CHEBI:103232 - (2R,3S,4S)-2-cyano-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide

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ChEBI Name (2R,3S,4S)-2-cyano-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide
ChEBI ID CHEBI:103232
Stars This entity has been manually annotated by a third party.
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Formula C23H29N3O2
Net Charge 0
Average Mass 379.496
Monoisotopic Mass 379.22598
InChI InChI=1S/C23H29N3O2/c1-16(2)25-23(28)26-20(14-24)22(21(26)15-27)19-12-10-18(11-13-19)9-8-17-6-4-3-5-7-17/h10-13,16-17,20-22,27H,3-7,15H2,1-2H3,(H,25,28)/t20-,21+,22-/m0/s1
InChIKey FHQNTJUBGIRGFL-BDTNDASRSA-N
SMILES CC(C)NC(=O)N1[C@@H]([C@H]([C@@H]1C#N)C2=CC=C(C=C2)C#CC3CCCCC3)CO
ChEBI Ontology
Outgoing (2R,3S,4S)-2-cyano-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide (CHEBI:103232) is a azetidines (CHEBI:38777)
(2R,3S,4S)-2-cyano-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide (CHEBI:103232) is a benzenes (CHEBI:22712)
(2R,3S,4S)-2-cyano-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide (CHEBI:103232) is a ring assembly (CHEBI:36820)
Manual Xref Database
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