EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:97076 - 2-[(1R,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide

ChEBI IDCHEBI:97076
ChEBI Name2-[(1R,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide
Stars
DownloadsMolfile
FormulaC31H35N3O5
Net Charge0
Average Mass529.637
Monoisotopic Mass529.25767
SMILESCN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)O[C@H](CO)[C@H]1O2
InChIInChI=1S/C31H35N3O5/c1-34(2)18-30(37)33-23-12-13-27-25(14-23)26-15-24(38-28(19-35)31(26)39-27)16-29(36)32-17-20-8-10-22(11-9-20)21-6-4-3-5-7-21/h3-14,24,26,28,31,35H,15-19H2,1-2H3,(H,32,36)(H,33,37)/t24-,26+,28+,31-/m0/s1
InChIKeyBRDKARYWUSDFKE-FLOWCNPBSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide (CHEBI:97076) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-8455LINCS