EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:120184 - 2-[(2S,5R,6S)-5-[[(2,5-difluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(4-phenylphenyl)acetamide

ChEBI IDCHEBI:120184
ChEBI Name2-[(2S,5R,6S)-5-[[(2,5-difluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(4-phenylphenyl)acetamide
Stars
DownloadsMolfile
FormulaC27H27F2N3O4
Net Charge0
Average Mass495.526
Monoisotopic Mass495.19696
SMILESO=C(C[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H27F2N3O4/c28-19-8-12-22(29)24(14-19)32-27(35)31-23-13-11-21(36-25(23)16-33)15-26(34)30-20-9-6-18(7-10-20)17-4-2-1-3-5-17/h1-10,12,14,21,23,25,33H,11,13,15-16H2,(H,30,34)(H2,31,32,35)/t21-,23+,25+/m0/s1
InChIKeyVHAZZXZDVYBBQV-QQKQFIJSSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2S,5R,6S)-5-[[(2,5-difluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(4-phenylphenyl)acetamide (CHEBI:120184) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-31627LINCS