CHEBI:110365 - N-[(1S,3S,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

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ChEBI Name N-[(1S,3S,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 ID CHEBI:110365 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H32N2O5 Net Charge 0 Average Mass 476.565 Monoisotopic Mass 476.23112 InChI InChI=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+/m0/s1 InChIKey HDZKHFXEQLFVHO-CRZMAGMNSA-N SMILES C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)N5CCC6=CC=CC=C6C5 ChEBI Ontology Outgoing N-[(1S,3S,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:110365) is a isoquinolines (CHEBI:24922) Manual Xref Database LSM-21814 LINCS View more database links