CHEBI:103793 - 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide ChEBI ID CHEBI:103793 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 C30H28F3N3O7 Net Charge 0 Average Mass 599.556 Monoisotopic Mass 599.18793 InChI InChI=1S/C30H28F3N3O7/c31-30(32,33)17-2-4-18(5-3-17)35-29(39)36-19-6-8-23-21(10-19)22-11-20(42-26(14-37)28(22)43-23)12-27(38)34-13-16-1-7-24-25(9-16)41-15-40-24/h1-10,20,22,26,28,37H,11-15H2,(H,34,38)(H2,35,36,39)/t20-,22+,26-,28-/m1/s1 InChIKey DCKQIPUZKHPVQM-UKTDVOJESA-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)C(F)(F)F)CO)CC(=O)NCC5=CC6=C(C=C5)OCO6 ChEBI Ontology Outgoing 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide (CHEBI:103793) is a ureas (CHEBI:47857) Manual Xref Database LSM-15137 LINCS View more database links