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CHEBI:122964 - 2-[(1R,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide

ChEBI IDCHEBI:122964
ChEBI Name2-[(1R,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
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DownloadsMolfile
FormulaC24H30N4O5
Net Charge0
Average Mass454.527
Monoisotopic Mass454.22162
SMILESCN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCc3ccncc3)O[C@H](CO)[C@@H]1O2
InChIInChI=1S/C24H30N4O5/c1-28(2)13-23(31)27-16-3-4-20-18(9-16)19-10-17(32-21(14-29)24(19)33-20)11-22(30)26-12-15-5-7-25-8-6-15/h3-9,17,19,21,24,29H,10-14H2,1-2H3,(H,26,30)(H,27,31)/t17-,19+,21-,24-/m1/s1
InChIKeyAXSMPGQCOGKKGU-RMIRKMSDSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide (CHEBI:122964) is a amino acid amide (CHEBI:22475)
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