EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:119093 - N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3-oxanyl]benzamide

ChEBI IDCHEBI:119093
ChEBI NameN-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3-oxanyl]benzamide
Stars
DownloadsMolfile
FormulaC27H28N2O4
Net Charge0
Average Mass444.531
Monoisotopic Mass444.20491
SMILESO=C(C[C@H]1CC[C@@H](NC(=O)c2ccccc2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H28N2O4/c30-18-25-24(29-27(32)21-9-5-2-6-10-21)16-15-23(33-25)17-26(31)28-22-13-11-20(12-14-22)19-7-3-1-4-8-19/h1-14,23-25,30H,15-18H2,(H,28,31)(H,29,32)/t23-,24-,25+/m1/s1
InChIKeyHQJSXCNUPDQHFZ-SDHSZQHLSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3-oxanyl]benzamide (CHEBI:119093) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-30542LINCS