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CHEBI:43328 - (3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]-VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE

Default Structure
ChEBI IDCHEBI:43328
ChEBI Name(3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]-VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC28H28FN3O4
Net Charge0
Average Mass489.547
Monoisotopic Mass489.20638
SMILES[H]Oc1c([H])c([H])c(OC([H])([H])[H])c(F)c1C(=O)c1c([H])c([H])c(/C([H])=C(\[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/C28H28FN3O4/c1-36-24-11-10-23(33)25(26(24)29)27(34)20-8-5-18(6-9-20)4-7-19-3-2-14-31-17-22(19)32-28(35)21-12-15-30-16-13-21/h4-13,15-16,19,22,31,33H,2-3,14,17H2,1H3,(H,32,35)/b7-4+/t19-,22+/m0/s1
InChIKeyQXALMENQPNPILV-ANFMQWFKSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]-VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE (CHEBI:43328) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]-VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDEPDBeChem
N-{(3S,4S)-4-[(E)-2-{4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)carbonyl]phenyl}ethenyl]azepan-3-yl}pyridine-4-carboxamidePDBeChem
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