CHEBI:110458 - 2-[(1R,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide

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ChEBI Name 2-[(1R,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide ChEBI ID CHEBI:110458 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C24H30N4O5 Net Charge 0 Average Mass 454.520 Monoisotopic Mass 454.22162 InChI InChI=1S/C24H30N4O5/c1-28(2)13-23(31)27-16-5-6-20-18(8-16)19-9-17(32-21(14-29)24(19)33-20)10-22(30)26-12-15-4-3-7-25-11-15/h3-8,11,17,19,21,24,29H,9-10,12-14H2,1-2H3,(H,26,30)(H,27,31)/t17-,19-,21-,24+/m1/s1 InChIKey DYFXALJZQJAGQY-ISYUWZRGSA-N SMILES CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CN=CC=C4 ChEBI Ontology Outgoing 2-[(1R,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide (CHEBI:110458) is a amino acid amide (CHEBI:22475) Manual Xref Database LSM-21905 LINCS View more database links