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CHEBI:122980 - 2-[(1S,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-[(1R)-1-phenylethyl]acetamide

ChEBI IDCHEBI:122980
ChEBI Name2-[(1S,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-[(1R)-1-phenylethyl]acetamide
Stars
DownloadsMolfile
FormulaC26H33N3O5
Net Charge0
Average Mass467.566
Monoisotopic Mass467.24202
SMILESC[C@@H](NC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)CN(C)C)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1
InChIInChI=1S/C26H33N3O5/c1-16(17-7-5-4-6-8-17)27-24(31)13-19-12-21-20-11-18(28-25(32)14-29(2)3)9-10-22(20)34-26(21)23(15-30)33-19/h4-11,16,19,21,23,26,30H,12-15H2,1-3H3,(H,27,31)(H,28,32)/t16-,19-,21+,23+,26-/m1/s1
InChIKeyDDTMCUFVLBWJID-UYBWFFGASA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,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-[(1R)-1-phenylethyl]acetamide (CHEBI:122980) is a amino acid amide (CHEBI:22475)
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