CHEBI:101005 - (2S,3R,4R)-2-cyano-4-(hydroxymethyl)-N-(2-methoxyphenyl)-3-phenyl-1-azetidinecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2S,3R,4R)-2-cyano-4-(hydroxymethyl)-N-(2-methoxyphenyl)-3-phenyl-1-azetidinecarboxamide
ChEBI ID CHEBI:101005
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C19H19N3O3
Net Charge 0
Average Mass 337.373
Monoisotopic Mass 337.14264
InChI InChI=1S/C19H19N3O3/c1-25-17-10-6-5-9-14(17)21-19(24)22-15(11-20)18(16(22)12-23)13-7-3-2-4-8-13/h2-10,15-16,18,23H,12H2,1H3,(H,21,24)/t15-,16+,18-/m1/s1
InChIKey MOIIHOSYSQGYMW-SOLBZPMBSA-N
SMILES COC1=CC=CC=C1NC(=O)N2[C@H]([C@@H]([C@H]2C#N)C3=CC=CC=C3)CO
ChEBI Ontology
Outgoing (2S,3R,4R)-2-cyano-4-(hydroxymethyl)-N-(2-methoxyphenyl)-3-phenyl-1-azetidinecarboxamide (CHEBI:101005) is a azetidines (CHEBI:38777)
(2S,3R,4R)-2-cyano-4-(hydroxymethyl)-N-(2-methoxyphenyl)-3-phenyl-1-azetidinecarboxamide (CHEBI:101005) is a benzenes (CHEBI:22712)
(2S,3R,4R)-2-cyano-4-(hydroxymethyl)-N-(2-methoxyphenyl)-3-phenyl-1-azetidinecarboxamide (CHEBI:101005) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-12378 LINCS
View more database links