CHEBI:100183 - 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide ChEBI ID CHEBI:100183 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 C20H28N2O6S Net Charge 0 Average Mass 424.513 Monoisotopic Mass 424.16681 InChI InChI=1S/C20H28N2O6S/c1-29(25,26)22-13-6-7-17-15(8-13)16-9-14(27-18(11-23)20(16)28-17)10-19(24)21-12-4-2-3-5-12/h6-8,12,14,16,18,20,22-23H,2-5,9-11H2,1H3,(H,21,24)/t14-,16+,18-,20-/m1/s1 InChIKey BEWGTMHICYCEOA-IHMNZUQTSA-N SMILES CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NC4CCCC4 ChEBI Ontology Outgoing 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide (CHEBI:100183) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-11560 LINCS View more database links