CHEBI:101087 - N-[(1R,3S,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-(dimethylamino)acetamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name N-[(1R,3S,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-(dimethylamino)acetamide ChEBI ID CHEBI:101087 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 C27H33N3O5 Net Charge 0 Average Mass 479.569 Monoisotopic Mass 479.24202 InChI InChI=1S/C27H33N3O5/c1-29(2)15-25(32)28-19-7-8-23-21(11-19)22-12-20(34-24(16-31)27(22)35-23)13-26(33)30-10-9-17-5-3-4-6-18(17)14-30/h3-8,11,20,22,24,27,31H,9-10,12-16H2,1-2H3,(H,28,32)/t20-,22+,24+,27-/m0/s1 InChIKey AJOHYGOUUFRWKL-YRGRZTQCSA-N SMILES CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)N4CCC5=CC=CC=C5C4 ChEBI Ontology Outgoing N-[(1R,3S,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-(dimethylamino)acetamide (CHEBI:101087) is a amino acid amide (CHEBI:22475) Manual Xref Database LSM-12458 LINCS View more database links