CHEBI:102659 - N-[(1R,3R,4aS,9aR)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide

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ChEBI Name N-[(1R,3R,4aS,9aR)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
ChEBI ID CHEBI:102659
Stars This entity has been manually annotated by a third party.
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Formula C21H28N2O5
Net Charge 0
Average Mass 388.458
Monoisotopic Mass 388.19982
InChI InChI=1S/C21H28N2O5/c1-23(2)20(26)10-14-9-16-15-8-13(22-19(25)7-12-3-4-12)5-6-17(15)28-21(16)18(11-24)27-14/h5-6,8,12,14,16,18,21,24H,3-4,7,9-11H2,1-2H3,(H,22,25)/t14-,16+,18-,21-/m1/s1
InChIKey PPHZKQYZEIZDOF-HRWHDRTOSA-N
SMILES CN(C)C(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)CC4CC4
ChEBI Ontology
Outgoing N-[(1R,3R,4aS,9aR)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide (CHEBI:102659) is a furopyran (CHEBI:74927)
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