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CHEBI:110361 - 2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide

ChEBI IDCHEBI:110361
ChEBI Name2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
Stars
DownloadsMolfile
FormulaC25H30ClN3O5
Net Charge0
Average Mass487.984
Monoisotopic Mass487.18740
SMILESCN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccc(Cl)cc3)O[C@H](CO)[C@@H]1O2
InChIInChI=1S/C25H30ClN3O5/c1-29(2)13-24(32)28-17-7-8-21-19(9-17)20-10-18(33-22(14-30)25(20)34-21)11-23(31)27-12-15-3-5-16(26)6-4-15/h3-9,18,20,22,25,30H,10-14H2,1-2H3,(H,27,31)(H,28,32)/t18-,20-,22+,25+/m0/s1
InChIKeyJQYAUOPJHODSNH-FZIATNMDSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide (CHEBI:110361) is a amino acid amide (CHEBI:22475)
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