CHEBI:108867 - N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-fluorobenzenesulfonamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-fluorobenzenesulfonamide ChEBI ID CHEBI:108867 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 C31H36FN3O7S Net Charge 0 Average Mass 613.699 Monoisotopic Mass 613.22580 InChI InChI=1S/C31H36FN3O7S/c1-20-15-35(21(2)18-36)31(37)14-23-13-25(33-43(38,39)26-8-5-24(32)6-9-26)7-11-27(23)42-30(20)17-34(3)16-22-4-10-28-29(12-22)41-19-40-28/h4-13,20-21,30,33,36H,14-19H2,1-3H3/t20-,21-,30+/m1/s1 InChIKey ZVLYFKSMWJQSMB-JAOJVIEDSA-N SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)O[C@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@H](C)CO ChEBI Ontology Outgoing N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-fluorobenzenesulfonamide (CHEBI:108867) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-20266 LINCS View more database links