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CHEBI:45336 - N-{(3R,4R)-4-[({4-[(2-hydroxy-5-piperidin-1-ylphenyl)carbonyl]phenyl}carbonyl)amino]azepan-3-yl}isonicotinamide

ChEBI IDCHEBI:45336
ChEBI NameN-{(3R,4R)-4-[({4-[(2-hydroxy-5-piperidin-1-ylphenyl)carbonyl]phenyl}carbonyl)amino]azepan-3-yl}isonicotinamide
Stars
ASCII NameN-{(3R,4R)-4-[({4-[(2-hydroxy-5-piperidin-1-ylphenyl)carbonyl]phenyl}carbonyl)amino]azepan-3-yl}isonicotinamide
Last Modified16 May 2008
DownloadsMolfile
FormulaC31H35N5O4
Net Charge0
Average Mass541.652
Monoisotopic Mass541.26890
SMILES[H]Oc1c([H])c([H])c(N2C([H])([H])C([H])([H])C([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/C31H35N5O4/c37-28-11-10-24(36-17-2-1-3-18-36)19-25(28)29(38)21-6-8-22(9-7-21)30(39)34-26-5-4-14-33-20-27(26)35-31(40)23-12-15-32-16-13-23/h6-13,15-16,19,26-27,33,37H,1-5,14,17-18,20H2,(H,34,39)(H,35,40)/t26-,27-/m1/s1
InChIKeyVXVVBHZWCMDJPJ-KAYWLYCHSA-N
ChEBI Ontology
Outgoing Relation(s)
N-{(3R,4R)-4-[({4-[(2-hydroxy-5-piperidin-1-ylphenyl)carbonyl]phenyl}carbonyl)amino]azepan-3-yl}isonicotinamide (CHEBI:45336) has functional parent isonicotinamide (CHEBI:6031)
N-{(3R,4R)-4-[({4-[(2-hydroxy-5-piperidin-1-ylphenyl)carbonyl]phenyl}carbonyl)amino]azepan-3-yl}isonicotinamide (CHEBI:45336) is a azepanes (CHEBI:46986)
N-{(3R,4R)-4-[({4-[(2-hydroxy-5-piperidin-1-ylphenyl)carbonyl]phenyl}carbonyl)amino]azepan-3-yl}isonicotinamide (CHEBI:45336) is a hydroxypiperidine (CHEBI:48590)
Synonyms  Source
N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-1-YLBENZOYL)BENZOYL]AMINO}AZEPAN-3-YL)ISONICOTINAMIDEPDBeChem
N-{(3R,4R)-4-[({4-[(2-hydroxy-5-piperidin-1-ylphenyl)carbonyl]phenyl}carbonyl)amino]azepan-3-yl}pyridine-4-carboxamidePDBeChem
Manual XrefsDatabases
R94PDBeChem