2-[2-oxidanylidene-3-[[4-(2-oxidanylidene-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]carbonylamino]-6-phenyl-azepan-1-yl]ethanoic acid

Systemtic Name: 2-[2-oxidanylidene-3-[[4-(2-oxidanylidene-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]carbonylamino]-6-phenyl-azepan-1-yl]ethanoic acid Openeye Name: 2-[2-oxo-3-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-6-phenyl-azepan-1-yl]acetic acid CAS Name: 2-[2-oxo-3-[[oxo-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-piperidinyl]methyl]amino]-6-phenyl-1-azepanyl]acetic acid IUPAC Name: 2-[2-oxo-3-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-6-phenylazepan-1-yl]acetic acid Traditional Name: 2-[2-keto-3-[[4-(2-keto-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-6-phenyl-azepan-1-yl]acetic acid Formula: C26H30N6O5 MolecularWeight: 506.5536

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(CC1C2=CC=CC=C2)CC(=O)O)NC(=O)N3CCC(CC3)N4C5=C(NC4=O)N=CC=C5

Isomeric SMILES

C1CC(C(=O)N(CC1C2=CC=CC=C2)CC(=O)O)NC(=O)N3CCC(CC3)N4C5=C(NC4=O)N=CC=C5

InChI

InChI=1S/C26H30N6O5/c33-22(34)16-31-15-18(17-5-2-1-3-6-17)8-9-20(24(31)35)28-25(36)30-13-10-19(11-14-30)32-21-7-4-12-27-23(21)29-26(32)37/h1-7,12,18-20H,8-11,13-16H2,(H,28,36)(H,33,34)(H,27,29,37)