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CHEBI:45252 - N-[(3R,4R)-4-{[(4-{[5-(4,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]carbonyl}phenyl)carbonyl]amino}azepan-3-yl]isonicotinamide

ChEBI IDCHEBI:45252
ChEBI NameN-[(3R,4R)-4-{[(4-{[5-(4,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]carbonyl}phenyl)carbonyl]amino}azepan-3-yl]isonicotinamide
Stars
ASCII NameN-[(3R,4R)-4-{[(4-{[5-(4,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]carbonyl}phenyl)carbonyl]amino}azepan-3-yl]isonicotinamide
Last Modified16 May 2008
DownloadsMolfile
FormulaC33H39N5O4
Net Charge0
Average Mass569.706
Monoisotopic Mass569.30020
SMILES[H]Oc1c([H])c([H])c(N2C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])c([H])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/C33H39N5O4/c1-33(2)13-18-38(19-14-33)25-9-10-29(39)26(20-25)30(40)22-5-7-23(8-6-22)31(41)36-27-4-3-15-35-21-28(27)37-32(42)24-11-16-34-17-12-24/h5-12,16-17,20,27-28,35,39H,3-4,13-15,18-19,21H2,1-2H3,(H,36,41)(H,37,42)/t27-,28-/m1/s1
InChIKeyYGHLZBJWLNYECG-VSGBNLITSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,4R)-4-{[(4-{[5-(4,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]carbonyl}phenyl)carbonyl]amino}azepan-3-yl]isonicotinamide (CHEBI:45252) has functional parent isonicotinamide (CHEBI:6031)
N-[(3R,4R)-4-{[(4-{[5-(4,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]carbonyl}phenyl)carbonyl]amino}azepan-3-yl]isonicotinamide (CHEBI:45252) is a azepanes (CHEBI:46986)
Synonyms  Source
N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDEPDBeChem
N-[(3R,4R)-4-{[(4-{[5-(4,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]carbonyl}phenyl)carbonyl]amino}azepan-3-yl]pyridine-4-carboxamidePDBeChem
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