EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:119096 - 2-[(2R,3R,6S)-3-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(4-phenylphenyl)acetamide

ChEBI IDCHEBI:119096
ChEBI Name2-[(2R,3R,6S)-3-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(4-phenylphenyl)acetamide
Stars
DownloadsMolfile
FormulaC26H28N4O5
Net Charge0
Average Mass476.533
Monoisotopic Mass476.20597
SMILESCc1noc(C)c1NC(=O)N[C@@H]1C=C[C@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@H]1CO
InChIInChI=1S/C26H28N4O5/c1-16-25(17(2)35-30-16)29-26(33)28-22-13-12-21(34-23(22)15-31)14-24(32)27-20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-13,21-23,31H,14-15H2,1-2H3,(H,27,32)(H2,28,29,33)/t21-,22-,23+/m1/s1
InChIKeyPFEWRFQNGBURGF-ZLNRFVROSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2R,3R,6S)-3-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(4-phenylphenyl)acetamide (CHEBI:119096) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-30545LINCS