CHEBI:100033 - N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide

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ChEBI Name N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
ChEBI ID CHEBI:100033
Stars This entity has been manually annotated by a third party.
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Formula C27H34N4O5
Net Charge 0
Average Mass 494.584
Monoisotopic Mass 494.25292
InChI InChI=1S/C27H34N4O5/c32-17-24-26-22(14-20(35-24)15-25(33)29-9-12-31-10-2-1-3-11-31)21-13-19(6-7-23(21)36-26)30-27(34)18-5-4-8-28-16-18/h4-8,13,16,20,22,24,26,32H,1-3,9-12,14-15,17H2,(H,29,33)(H,30,34)/t20-,22+,24-,26-/m1/s1
InChIKey SWOCEPZEXMNKQZ-FWSIMYTDSA-N
SMILES C1CCN(CC1)CCNC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5
ChEBI Ontology
Outgoing N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide (CHEBI:100033) is a furopyran (CHEBI:74927)
Manual Xref Database
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