CHEBI:101100 - 2-[(1S,3R,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide

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ChEBI Name 2-[(1S,3R,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide ChEBI ID CHEBI:101100 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 C27H32FN3O5 Net Charge 0 Average Mass 497.560 Monoisotopic Mass 497.23260 InChI InChI=1S/C27H32FN3O5/c28-22-8-4-1-5-16(22)14-29-25(33)13-19-12-21-20-11-18(31-27(34)30-17-6-2-3-7-17)9-10-23(20)36-26(21)24(15-32)35-19/h1,4-5,8-11,17,19,21,24,26,32H,2-3,6-7,12-15H2,(H,29,33)(H2,30,31,34)/t19-,21-,24+,26+/m1/s1 InChIKey MSBIHNOYSLVJHR-HUZKPYMCSA-N SMILES C1CCC(C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=CC=C5F ChEBI Ontology Outgoing 2-[(1S,3R,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide (CHEBI:101100) is a furopyran (CHEBI:74927) Manual Xref Database LSM-12469 LINCS View more database links