CHEBI:97295 - (2S,3S,4S)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-ylazetidine-1-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2S,3S,4S)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-ylazetidine-1-carboxamide
ChEBI ID CHEBI:97295
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H22FN3O2
Net Charge 0
Average Mass 367.417
Monoisotopic Mass 367.16961
InChI InChI=1S/C21H22FN3O2/c1-13(2)24-21(27)25-18(11-23)20(19(25)12-26)16-5-3-14(4-6-16)15-7-9-17(22)10-8-15/h3-10,13,18-20,26H,12H2,1-2H3,(H,24,27)/t18-,19-,20+/m1/s1
InChIKey GQNJFXBZXQABNJ-AQNXPRMDSA-N
SMILES CC(C)NC(=O)N1[C@@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CC=C(C=C3)F)CO
ChEBI Ontology
Outgoing (2S,3S,4S)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-ylazetidine-1-carboxamide (CHEBI:97295) is a biphenyls (CHEBI:22888)
Manual Xref Database
LSM-8674 LINCS
View more database links