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CHEBI:98294 - N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]pyridine-3-carboxamide

ChEBI IDCHEBI:98294
ChEBI NameN-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]pyridine-3-carboxamide
Stars
DownloadsMolfile
FormulaC28H29N3O6
Net Charge0
Average Mass503.555
Monoisotopic Mass503.20564
SMILESCOc1ccccc1CNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@H](CO)O1
InChIInChI=1S/C28H29N3O6/c1-35-23-7-3-2-5-17(23)15-30-26(33)13-20-12-22-21-11-19(31-28(34)18-6-4-10-29-14-18)8-9-24(21)37-27(22)25(16-32)36-20/h2-11,14,20,22,25,27,32H,12-13,15-16H2,1H3,(H,30,33)(H,31,34)/t20-,22+,25-,27-/m0/s1
InChIKeyFJJBSMMGLKBUIQ-BUZLNKNLSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]pyridine-3-carboxamide (CHEBI:98294) is a furopyran (CHEBI:74927)
Manual XrefsDatabases
LSM-9673LINCS