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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

ChEBI IDCHEBI:100729
ChEBI NameN-[(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
Stars
DownloadsMolfile
FormulaC27H25F2N3O5
Net Charge0
Average Mass509.509
Monoisotopic Mass509.17623
SMILESO=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1)NCc1cc(F)ccc1F
InChIInChI=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
InChIKeyMRHMXTIRULDPKA-YKNOVDGGSA-N
ChEBI Ontology
Outgoing Relation(s)
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)
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