CHEBI:102797 - 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide

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ChEBI Name 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide ChEBI ID CHEBI:102797 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 C29H27ClF3N3O5 Net Charge 0 Average Mass 589.991 Monoisotopic Mass 589.15913 InChI InChI=1S/C29H27ClF3N3O5/c30-18-5-1-16(2-6-18)14-34-26(38)13-21-12-23-22-11-20(9-10-24(22)41-27(23)25(15-37)40-21)36-28(39)35-19-7-3-17(4-8-19)29(31,32)33/h1-11,21,23,25,27,37H,12-15H2,(H,34,38)(H2,35,36,39)/t21-,23-,25-,27+/m1/s1 InChIKey QUFPSNAFNYGAMM-UFUIAINPSA-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=CC=C(C=C5)Cl ChEBI Ontology Outgoing 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide (CHEBI:102797) is a ureas (CHEBI:47857) Manual Xref Database LSM-14143 LINCS View more database links