CHEBI:103124 - 2-[(1S,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-[(1S,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide ChEBI ID CHEBI:103124 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 C21H31N3O6 Net Charge 0 Average Mass 421.488 Monoisotopic Mass 421.22129 InChI InChI=1S/C21H31N3O6/c1-24(2)11-20(27)23-13-4-5-17-15(8-13)16-9-14(10-19(26)22-6-7-28-3)29-18(12-25)21(16)30-17/h4-5,8,14,16,18,21,25H,6-7,9-12H2,1-3H3,(H,22,26)(H,23,27)/t14-,16-,18+,21+/m1/s1 InChIKey ZSBYESKXZOGBOW-GXLIZGDTSA-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)NCCOC ChEBI Ontology Outgoing 2-[(1S,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide (CHEBI:103124) is a amino acid amide (CHEBI:22475) Manual Xref Database LSM-14469 LINCS View more database links