CHEBI:102201 - 2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide

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ChEBI Name 2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide ChEBI ID CHEBI:102201 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 C25H29F2N3O5 Net Charge 0 Average Mass 489.513 Monoisotopic Mass 489.20753 InChI InChI=1S/C25H29F2N3O5/c1-30(2)12-24(33)29-16-4-6-21-18(8-16)19-9-17(34-22(13-31)25(19)35-21)10-23(32)28-11-14-7-15(26)3-5-20(14)27/h3-8,17,19,22,25,31H,9-13H2,1-2H3,(H,28,32)(H,29,33)/t17-,19-,22+,25+/m0/s1 InChIKey PTZKUMYBXIPSAJ-CMJNZLRFSA-N SMILES CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=C(C=CC(=C4)F)F ChEBI Ontology Outgoing 2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide (CHEBI:102201) is a amino acid amide (CHEBI:22475) Manual Xref Database LSM-13559 LINCS View more database links