EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:119086 - 2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[(3-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-(4-phenylphenyl)acetamide

ChEBI IDCHEBI:119086
ChEBI Name2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[(3-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-(4-phenylphenyl)acetamide
Stars
DownloadsMolfile
FormulaC28H31N3O5
Net Charge0
Average Mass489.572
Monoisotopic Mass489.22637
SMILESCOc1cccc(NC(=O)N[C@@H]2CC[C@@H](CC(=O)Nc3ccc(-c4ccccc4)cc3)O[C@H]2CO)c1
InChIInChI=1S/C28H31N3O5/c1-35-23-9-5-8-22(16-23)30-28(34)31-25-15-14-24(36-26(25)18-32)17-27(33)29-21-12-10-20(11-13-21)19-6-3-2-4-7-19/h2-13,16,24-26,32H,14-15,17-18H2,1H3,(H,29,33)(H2,30,31,34)/t24-,25+,26-/m0/s1
InChIKeyLTCMWRCKDZHFDM-NXCFDTQHSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[(3-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-(4-phenylphenyl)acetamide (CHEBI:119086) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-30535LINCS