CHEBI:101782 - 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]-1,3-benzodioxole-5-carboxamide

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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]-1,3-benzodioxole-5-carboxamide ChEBI ID CHEBI:101782 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 C31H30N2O7 Net Charge 0 Average Mass 542.580 Monoisotopic Mass 542.20530 InChI InChI=1S/C31H30N2O7/c34-16-28-30-24(13-22(39-28)14-29(35)33-10-9-18-3-1-2-4-20(18)15-33)23-12-21(6-8-25(23)40-30)32-31(36)19-5-7-26-27(11-19)38-17-37-26/h1-8,11-12,22,24,28,30,34H,9-10,13-17H2,(H,32,36)/t22-,24+,28+,30-/m1/s1 InChIKey DMKXNQOLMYQXCN-KKGYKCSESA-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)C6=CC7=C(C=C6)OCO7 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]-1,3-benzodioxole-5-carboxamide (CHEBI:101782) is a isoquinolines (CHEBI:24922) Manual Xref Database LSM-13144 LINCS View more database links