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CHEBI:98476 - N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-2-(dimethylamino)acetamide

ChEBI IDCHEBI:98476
ChEBI NameN-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-2-(dimethylamino)acetamide
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DownloadsMolfile
FormulaC23H33N3O5
Net Charge0
Average Mass431.533
Monoisotopic Mass431.24202
SMILESCN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@H]1O2
InChIInChI=1S/C23H33N3O5/c1-25(2)13-21(28)24-15-6-7-19-17(10-15)18-11-16(30-20(14-27)23(18)31-19)12-22(29)26-8-4-3-5-9-26/h6-7,10,16,18,20,23,27H,3-5,8-9,11-14H2,1-2H3,(H,24,28)/t16-,18-,20-,23+/m1/s1
InChIKeyMRLAOALNSBFOMY-WVVHNUNQSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-2-(dimethylamino)acetamide (CHEBI:98476) is a amino acid amide (CHEBI:22475)
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