CHEBI:110229 - N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide

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ChEBI Name N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
ChEBI ID CHEBI:110229
Stars This entity has been manually annotated by a third party.
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Formula C26H26N4O5
Net Charge 0
Average Mass 474.509
Monoisotopic Mass 474.19032
InChI InChI=1S/C26H26N4O5/c31-15-23-25-21(11-19(34-23)12-24(32)29-13-16-5-8-27-9-6-16)20-10-18(3-4-22(20)35-25)30-26(33)17-2-1-7-28-14-17/h1-10,14,19,21,23,25,31H,11-13,15H2,(H,29,32)(H,30,33)/t19-,21-,23-,25+/m0/s1
InChIKey ZUFBUKYSNNXFMC-YALMDMJRSA-N
SMILES C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CO)CC(=O)NCC5=CC=NC=C5
ChEBI Ontology
Outgoing N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide (CHEBI:110229) is a furopyran (CHEBI:74927)
Manual Xref Database
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