CHEBI:122954 - 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide ChEBI ID CHEBI:122954 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 C23H28N2O7S Net Charge 0 Average Mass 476.545 Monoisotopic Mass 476.16172 InChI InChI=1S/C23H28N2O7S/c1-30-19-6-4-3-5-14(19)12-24-22(27)11-16-10-18-17-9-15(25-33(2,28)29)7-8-20(17)32-23(18)21(13-26)31-16/h3-9,16,18,21,23,25-26H,10-13H2,1-2H3,(H,24,27)/t16-,18+,21-,23-/m0/s1 InChIKey SVPAUNQWUYQQNC-WKABAGCOSA-N SMILES COC1=CC=CC=C1CNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C ChEBI Ontology Outgoing 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CHEBI:122954) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-34397 LINCS View more database links