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CHEBI:131301 - N-[(1R,3R,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide

ChEBI IDCHEBI:131301
ChEBI NameN-[(1R,3R,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
Stars
DownloadsMolfile
FormulaC27H26FN3O5
Net Charge0
Average Mass491.519
Monoisotopic Mass491.18565
SMILESO=C(C[C@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1cccc(F)c1
InChIInChI=1S/C27H26FN3O5/c28-18-5-1-3-16(9-18)13-30-25(33)12-20-11-22-21-10-19(31-27(34)17-4-2-8-29-14-17)6-7-23(21)36-26(22)24(15-32)35-20/h1-10,14,20,22,24,26,32H,11-13,15H2,(H,30,33)(H,31,34)/t20-,22-,24-,26+/m1/s1
InChIKeyOGUMJARTEHRGNP-DFICYWPVSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3R,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide (CHEBI:131301) is a furopyran (CHEBI:74927)
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