CHEBI:100732 - 2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide

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ChEBI Name 2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide ChEBI ID CHEBI:100732 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H28FN3O5 Net Charge 0 Average Mass 505.538 Monoisotopic Mass 505.20130 InChI InChI=1S/C28H28FN3O5/c29-19-3-1-2-18(10-19)15-31-26(34)14-21-13-23-22-12-20(32-27(35)11-17-6-8-30-9-7-17)4-5-24(22)37-28(23)25(16-33)36-21/h1-10,12,21,23,25,28,33H,11,13-16H2,(H,31,34)(H,32,35)/t21-,23+,25+,28-/m0/s1 InChIKey JTKPUOMASGTZAW-BOYVHMQCSA-N SMILES C1[C@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)CC4=CC=NC=C4)CO)CC(=O)NCC5=CC(=CC=C5)F ChEBI Ontology Outgoing 2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide (CHEBI:100732) is a furopyran (CHEBI:74927) Manual Xref Database LSM-12106 LINCS View more database links