CHEBI:100496 - 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide

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ChEBI Name 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide ChEBI ID CHEBI:100496 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 C28H35N3O6 Net Charge 0 Average Mass 509.595 Monoisotopic Mass 509.25259 InChI InChI=1S/C28H35N3O6/c1-35-20-10-7-18(8-11-20)30-28(34)31-19-9-12-24-22(13-19)23-14-21(36-25(16-32)27(23)37-24)15-26(33)29-17-5-3-2-4-6-17/h7-13,17,21,23,25,27,32H,2-6,14-16H2,1H3,(H,29,33)(H2,30,31,34)/t21-,23+,25-,27-/m1/s1 InChIKey ATPIYVGDEBDNGC-WWUYVNTOSA-N SMILES COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NC5CCCCC5 ChEBI Ontology Outgoing 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide (CHEBI:100496) is a ureas (CHEBI:47857) Manual Xref Database LSM-11870 LINCS View more database links