CHEBI:101198 - (2R,3R,4R)-2-cyano-N-cyclohexyl-4-(hydroxymethyl)-3-[4-(4-methoxyphenyl)phenyl]-1-azetidinecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2R,3R,4R)-2-cyano-N-cyclohexyl-4-(hydroxymethyl)-3-[4-(4-methoxyphenyl)phenyl]-1-azetidinecarboxamide
ChEBI ID CHEBI:101198
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H29N3O3
Net Charge 0
Average Mass 419.517
Monoisotopic Mass 419.22089
InChI InChI=1S/C25H29N3O3/c1-31-21-13-11-18(12-14-21)17-7-9-19(10-8-17)24-22(15-26)28(23(24)16-29)25(30)27-20-5-3-2-4-6-20/h7-14,20,22-24,29H,2-6,16H2,1H3,(H,27,30)/t22-,23-,24+/m0/s1
InChIKey UEJLJRRJJUOYFY-KMDXXIMOSA-N
SMILES COC1=CC=C(C=C1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)C(=O)NC4CCCCC4)CO
ChEBI Ontology
Outgoing (2R,3R,4R)-2-cyano-N-cyclohexyl-4-(hydroxymethyl)-3-[4-(4-methoxyphenyl)phenyl]-1-azetidinecarboxamide (CHEBI:101198) is a biphenyls (CHEBI:22888)
Manual Xref Database
LSM-12567 LINCS
View more database links