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CHEBI:98728 - 2-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide

ChEBI IDCHEBI:98728
ChEBI Name2-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
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DownloadsMolfile
FormulaC21H31N3O6
Net Charge0
Average Mass421.494
Monoisotopic Mass421.22129
SMILESCOCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)CN(C)C)ccc3O[C@@H]2[C@H](CO)O1
InChIInChI=1S/C21H31N3O6/c1-24(2)11-20(27)23-13-4-5-17-15(8-13)16-9-14(10-19(26)22-6-7-28-3)29-18(12-25)21(16)30-17/h4-5,8,14,16,18,21,25H,6-7,9-12H2,1-3H3,(H,22,26)(H,23,27)/t14-,16+,18-,21-/m0/s1
InChIKeyZSBYESKXZOGBOW-WTFQOOOSSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide (CHEBI:98728) is a amino acid amide (CHEBI:22475)
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