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CHEBI:110429 - N-[(1R,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-methoxyacetamide

ChEBI IDCHEBI:110429
ChEBI NameN-[(1R,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-methoxyacetamide
Stars
DownloadsMolfile
FormulaC26H30N2O6
Net Charge0
Average Mass466.534
Monoisotopic Mass466.21039
SMILESCOCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCc4ccccc4C3)O[C@H](CO)[C@H]1O2
InChIInChI=1S/C26H30N2O6/c1-32-15-24(30)27-18-6-7-22-20(10-18)21-11-19(33-23(14-29)26(21)34-22)12-25(31)28-9-8-16-4-2-3-5-17(16)13-28/h2-7,10,19,21,23,26,29H,8-9,11-15H2,1H3,(H,27,30)/t19-,21-,23-,26+/m1/s1
InChIKeyHQMAMEQBJJAPDJ-INZVZTLUSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-methoxyacetamide (CHEBI:110429) is a isoquinolines (CHEBI:24922)
Manual XrefsDatabases
LSM-21876LINCS