CHEBI:102061 - 2-[(1S,3S,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-[(2-methoxyphenyl)methyl]acetamide

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ChEBI Name 2-[(1S,3S,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-[(2-methoxyphenyl)methyl]acetamide ChEBI ID CHEBI:102061 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 C30H30F3N3O6 Net Charge 0 Average Mass 585.572 Monoisotopic Mass 585.20867 InChI InChI=1S/C30H30F3N3O6/c1-40-24-5-3-2-4-17(24)15-34-27(38)14-21-13-23-22-12-20(10-11-25(22)42-28(23)26(16-37)41-21)36-29(39)35-19-8-6-18(7-9-19)30(31,32)33/h2-12,21,23,26,28,37H,13-16H2,1H3,(H,34,38)(H2,35,36,39)/t21-,23-,26-,28+/m0/s1 InChIKey SYQUHMCSVCULSJ-ZVMBZZGVSA-N SMILES COC1=CC=CC=C1CNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)C(F)(F)F ChEBI Ontology Outgoing 2-[(1S,3S,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-[(2-methoxyphenyl)methyl]acetamide (CHEBI:102061) is a ureas (CHEBI:47857) Manual Xref Database LSM-13421 LINCS View more database links