CHEBI:100986 - N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide

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ChEBI Name N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide
ChEBI ID CHEBI:100986
Stars This entity has been manually annotated by a third party.
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Formula C26H32N4O5
Net Charge 0
Average Mass 480.557
Monoisotopic Mass 480.23727
InChI InChI=1S/C26H32N4O5/c1-29-8-10-30(11-9-29)25(33)15-19-14-21-20-13-18(28-24(32)12-17-4-6-27-7-5-17)2-3-22(20)35-26(21)23(16-31)34-19/h2-7,13,19,21,23,26,31H,8-12,14-16H2,1H3,(H,28,32)/t19-,21-,23+,26+/m1/s1
InChIKey LVKYMQHIUYSGLY-BCHMZHATSA-N
SMILES CN1CCN(CC1)C(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5
ChEBI Ontology
Outgoing N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide (CHEBI:100986) is a furopyran (CHEBI:74927)
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