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CHEBI:43360 - (3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN-3-YL}-ISONICOTINAMIDE

Default Structure
ChEBI IDCHEBI:43360
ChEBI Name(3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN-3-YL}-ISONICOTINAMIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC27H28FN3O5
Net Charge0
Average Mass493.535
Monoisotopic Mass493.20130
SMILES[H]Oc1c([H])c([H])c(OC([H])([H])[H])c(F)c1C(=O)c1c([H])c([H])c(C([H])([H])O[C@]2([H])C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])[C@@]2([H])N([H])C(=O)c2c([H])c([H])nc([H])c2[H])c([H])c1[H]
InChIInChI=1S/C27H28FN3O5/c1-35-23-9-8-21(32)24(25(23)28)26(33)18-6-4-17(5-7-18)16-36-22-3-2-12-30-15-20(22)31-27(34)19-10-13-29-14-11-19/h4-11,13-14,20,22,30,32H,2-3,12,15-16H2,1H3,(H,31,34)/t20-,22-/m1/s1
InChIKeyPDMPNESLWSOZQA-IFMALSPDSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN-3-YL}-ISONICOTINAMIDE (CHEBI:43360) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN-3-YL}-ISONICOTINAMIDEPDBeChem
N-[(3R,4R)-4-({4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)carbonyl]benzyl}oxy)azepan-3-yl]pyridine-4-carboxamidePDBeChem
Manual XrefsDatabases
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