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CHEBI:100524 - 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide

ChEBI IDCHEBI:100524
ChEBI Name2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide
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DownloadsMolfile
FormulaC25H30N2O6
Net Charge0
Average Mass454.523
Monoisotopic Mass454.21039
SMILESCOCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N[C@H](C)c3ccccc3)O[C@@H](CO)[C@@H]1O2
InChIInChI=1S/C25H30N2O6/c1-15(16-6-4-3-5-7-16)26-23(29)12-18-11-20-19-10-17(27-24(30)14-31-2)8-9-21(19)33-25(20)22(13-28)32-18/h3-10,15,18,20,22,25,28H,11-14H2,1-2H3,(H,26,29)(H,27,30)/t15-,18-,20+,22+,25-/m1/s1
InChIKeyALLGXHRZPBERLG-PJJGQHEOSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide (CHEBI:100524) is a furopyran (CHEBI:74927)
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