CHEBI:110345 - 2-[(1R,3R,4aR,9aS)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-[(1R,3R,4aR,9aS)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide ChEBI ID CHEBI:110345 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 C23H23F4N3O5 Net Charge 0 Average Mass 497.440 Monoisotopic Mass 497.15738 InChI InChI=1S/C23H23F4N3O5/c24-12-1-3-13(4-2-12)29-22(33)30-14-5-6-18-16(7-14)17-8-15(34-19(10-31)21(17)35-18)9-20(32)28-11-23(25,26)27/h1-7,15,17,19,21,31H,8-11H2,(H,28,32)(H2,29,30,33)/t15-,17-,19-,21+/m1/s1 InChIKey SJYXGOSVXNMHEN-WELBPKCISA-N SMILES C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)F)CO)CC(=O)NCC(F)(F)F ChEBI Ontology Outgoing 2-[(1R,3R,4aR,9aS)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide (CHEBI:110345) is a ureas (CHEBI:47857) Manual Xref Database LSM-21794 LINCS View more database links