EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:98017 - N-[(1R,3R,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]oxane-4-carboxamide

ChEBI IDCHEBI:98017
ChEBI NameN-[(1R,3R,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]oxane-4-carboxamide
Stars
DownloadsMolfile
FormulaC27H30F2N2O6
Net Charge0
Average Mass516.541
Monoisotopic Mass516.20719
SMILESO=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1cc(F)ccc1F
InChIInChI=1S/C27H30F2N2O6/c28-17-1-3-22(29)16(9-17)13-30-25(33)12-19-11-21-20-10-18(31-27(34)15-5-7-35-8-6-15)2-4-23(20)37-26(21)24(14-32)36-19/h1-4,9-10,15,19,21,24,26,32H,5-8,11-14H2,(H,30,33)(H,31,34)/t19-,21-,24-,26+/m1/s1
InChIKeyUVPONYOZSFJNDG-UNMCOINBSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3R,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]oxane-4-carboxamide (CHEBI:98017) is a furopyran (CHEBI:74927)
Manual XrefsDatabases
LSM-9396LINCS