CHEBI:100729 - N-[(1S,3S,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name N-[(1S,3S,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide ChEBI ID CHEBI:100729 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 C27H25F2N3O5 Net Charge 0 Average Mass 509.502 Monoisotopic Mass 509.17623 InChI InChI=1S/C27H25F2N3O5/c28-17-3-5-22(29)16(8-17)13-31-25(34)11-19-10-21-20-9-18(32-27(35)15-2-1-7-30-12-15)4-6-23(20)37-26(21)24(14-33)36-19/h1-9,12,19,21,24,26,33H,10-11,13-14H2,(H,31,34)(H,32,35)/t19-,21-,24-,26+/m0/s1 InChIKey MRHMXTIRULDPKA-YKNOVDGGSA-N SMILES C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CO)CC(=O)NCC5=C(C=CC(=C5)F)F ChEBI Ontology Outgoing N-[(1S,3S,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide (CHEBI:100729) is a furopyran (CHEBI:74927) Manual Xref Database LSM-12103 LINCS View more database links