CHEBI:99267 - N-[(1S,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-pyridin-4-ylacetamide

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ChEBI Name N-[(1S,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-pyridin-4-ylacetamide ChEBI ID CHEBI:99267 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 C30H31N3O5 Net Charge 0 Average Mass 513.585 Monoisotopic Mass 513.22637 InChI InChI=1S/C30H31N3O5/c34-18-27-30-25(15-23(37-27)16-29(36)33-12-9-20-3-1-2-4-21(20)17-33)24-14-22(5-6-26(24)38-30)32-28(35)13-19-7-10-31-11-8-19/h1-8,10-11,14,23,25,27,30,34H,9,12-13,15-18H2,(H,32,35)/t23-,25+,27+,30-/m1/s1 InChIKey ZUSAVEKAEPAMKG-LWQGNWNJSA-N SMILES C1CN(CC2=CC=CC=C21)C(=O)C[C@H]3C[C@@H]4[C@H]([C@@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)CC6=CC=NC=C6 ChEBI Ontology Outgoing N-[(1S,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-pyridin-4-ylacetamide (CHEBI:99267) is a isoquinolines (CHEBI:24922) Manual Xref Database LSM-10646 LINCS View more database links