CHEBI:102053 - N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide

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ChEBI Name N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide
ChEBI ID CHEBI:102053
Stars This entity has been manually annotated by a third party.
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Formula C26H31N3O6
Net Charge 0
Average Mass 481.542
Monoisotopic Mass 481.22129
InChI InChI=1S/C26H31N3O6/c30-15-23-25-21(11-19(34-23)12-24(31)28-14-16-2-1-7-27-13-16)20-10-18(3-4-22(20)35-25)29-26(32)17-5-8-33-9-6-17/h1-4,7,10,13,17,19,21,23,25,30H,5-6,8-9,11-12,14-15H2,(H,28,31)(H,29,32)/t19-,21+,23-,25-/m0/s1
InChIKey UAPJRYKULVRBJS-PYTYSOFPSA-N
SMILES C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5=CN=CC=C5
ChEBI Ontology
Outgoing N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide (CHEBI:102053) is a furopyran (CHEBI:74927)
Manual Xref Database
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