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CHEBI:43235 - N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZOYLAMINO]-AZEPAN-3-YL}ISONICOTINAMIDE

Default Structure
ChEBI IDCHEBI:43235
ChEBI NameN-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZOYLAMINO]-AZEPAN-3-YL}ISONICOTINAMIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC27H27FN4O5
Net Charge0
Average Mass506.534
Monoisotopic Mass506.19655
SMILES[H]Oc1c([H])c([H])c(OC([H])([H])[H])c(F)c1C(=O)c1c([H])c([H])c(C(=O)N([H])[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/C27H27FN4O5/c1-37-22-9-8-21(33)23(24(22)28)25(34)16-4-6-17(7-5-16)26(35)31-19-3-2-12-30-15-20(19)32-27(36)18-10-13-29-14-11-18/h4-11,13-14,19-20,30,33H,2-3,12,15H2,1H3,(H,31,35)(H,32,36)/t19-,20-/m1/s1
InChIKeyKGSQEYHTCBVKAX-WOJBJXKFSA-N
ChEBI Ontology
Outgoing Relation(s)
N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZOYLAMINO]-AZEPAN-3-YL}ISONICOTINAMIDE (CHEBI:43235) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZOYLAMINO]-AZEPAN-3-YL}ISONICOTINAMIDEPDBeChem
N-{(3R,4R)-4-[({4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)carbonyl]phenyl}carbonyl)amino]azepan-3-yl}pyridine-4-carboxamidePDBeChem
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