CHEBI:117480 - 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide ChEBI ID CHEBI:117480 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 C28H29FN2O7S Net Charge 0 Average Mass 556.605 Monoisotopic Mass 556.16795 InChI InChI=1S/C28H29FN2O7S/c1-36-20-6-3-7-22(12-20)39(34,35)31-19-8-9-25-23(11-19)24-13-21(37-26(16-32)28(24)38-25)14-27(33)30-15-17-4-2-5-18(29)10-17/h2-12,21,24,26,28,31-32H,13-16H2,1H3,(H,30,33)/t21-,24+,26+,28-/m1/s1 InChIKey GERXZWRQFCUSQI-HWMSKCLUSA-N SMILES COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC(=CC=C5)F ChEBI Ontology Outgoing 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide (CHEBI:117480) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-28929 LINCS View more database links