CHEBI:100022 - N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

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ChEBI Name N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide ChEBI ID CHEBI:100022 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 C28H27N3O7 Net Charge 0 Average Mass 517.531 Monoisotopic Mass 517.18490 InChI InChI=1S/C28H27N3O7/c32-14-25-27-21(10-19(37-25)11-26(33)30-13-16-2-1-7-29-12-16)20-9-18(4-6-22(20)38-27)31-28(34)17-3-5-23-24(8-17)36-15-35-23/h1-9,12,19,21,25,27,32H,10-11,13-15H2,(H,30,33)(H,31,34)/t19-,21-,25+,27+/m1/s1 InChIKey PHEIPYKARIAFSI-FALQBERWSA-N SMILES C1[C@@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CN=CC=C6 ChEBI Ontology Outgoing N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:100022) is a furopyran (CHEBI:74927) Manual Xref Database LSM-11401 LINCS View more database links