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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

ChEBI IDCHEBI:110458
ChEBI Name2-[(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
Stars
DownloadsMolfile
FormulaC24H30N4O5
Net Charge0
Average Mass454.527
Monoisotopic Mass454.22162
SMILESCN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3cccnc3)O[C@H](CO)[C@H]1O2
InChIInChI=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
InChIKeyDYFXALJZQJAGQY-ISYUWZRGSA-N
ChEBI Ontology
Outgoing Relation(s)
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)
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