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CHEBI:110217 - N-[(1R,3R,4aS,9aR)-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-cyclopropylacetamide

ChEBI IDCHEBI:110217
ChEBI NameN-[(1R,3R,4aS,9aR)-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-cyclopropylacetamide
Stars
DownloadsMolfile
FormulaC28H32N2O5
Net Charge0
Average Mass476.573
Monoisotopic Mass476.23112
SMILESO=C(CC1CC1)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCc4ccccc4C3)O[C@H](CO)[C@@H]1O2
InChIInChI=1S/C28H32N2O5/c31-16-25-28-23(22-12-20(7-8-24(22)35-28)29-26(32)11-17-5-6-17)13-21(34-25)14-27(33)30-10-9-18-3-1-2-4-19(18)15-30/h1-4,7-8,12,17,21,23,25,28,31H,5-6,9-11,13-16H2,(H,29,32)/t21-,23+,25-,28-/m1/s1
InChIKeyHDZKHFXEQLFVHO-YZDMAOCNSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3R,4aS,9aR)-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-cyclopropylacetamide (CHEBI:110217) is a isoquinolines (CHEBI:24922)
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