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CHEBI:117459 - 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-[(4-methoxyphenyl)methyl]acetamide

ChEBI IDCHEBI:117459
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-[(4-methoxyphenyl)methyl]acetamide
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DownloadsMolfile
FormulaC26H33N3O6
Net Charge0
Average Mass483.565
Monoisotopic Mass483.23694
SMILESCOc1ccc(CNC(=O)C[C@H]2C[C@@H]3c4cc(NC(=O)CN(C)C)ccc4O[C@@H]3[C@@H](CO)O2)cc1
InChIInChI=1S/C26H33N3O6/c1-29(2)14-25(32)28-17-6-9-22-20(10-17)21-11-19(34-23(15-30)26(21)35-22)12-24(31)27-13-16-4-7-18(33-3)8-5-16/h4-10,19,21,23,26,30H,11-15H2,1-3H3,(H,27,31)(H,28,32)/t19-,21-,23-,26+/m1/s1
InChIKeyUPMRBEOCYVNRMT-INZVZTLUSA-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-[(4-methoxyphenyl)methyl]acetamide (CHEBI:117459) is a amino acid amide (CHEBI:22475)
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