3-[2-(phenylmethyl)-1H-imidazol-5-yl]-2-[(1-quinolin-3-ylpiperidin-4-yl)carbonylamino]propanoic acid

Systemtic Name: 3-[2-(phenylmethyl)-1H-imidazol-5-yl]-2-[(1-quinolin-3-ylpiperidin-4-yl)carbonylamino]propanoic acid Openeye Name: 3-(2-benzyl-1H-imidazol-5-yl)-2-[[1-(3-quinolyl)piperidine-4-carbonyl]amino]propanoic acid CAS Name: 2-[[oxo-[1-(3-quinolinyl)-4-piperidinyl]methyl]amino]-3-[2-(phenylmethyl)-1H-imidazol-5-yl]propanoic acid IUPAC Name: 3-(2-benzyl-1H-imidazol-5-yl)-2-[(1-quinolin-3-ylpiperidine-4-carbonyl)amino]propanoic acid Traditional Name: 3-(2-benzyl-1H-imidazol-5-yl)-2-[[1-(3-quinolyl)isonipecotoyl]amino]propionic acid Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC2=CN=C(N2)CC3=CC=CC=C3)C(=O)O)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC(CC2=CN=C(N2)CC3=CC=CC=C3)C(=O)O)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C28H29N5O3/c34-27(20-10-12-33(13-11-20)23-15-21-8-4-5-9-24(21)29-18-23)32-25(28(35)36)16-22-17-30-26(31-22)14-19-6-2-1-3-7-19/h1-9,15,17-18,20,25H,10-14,16H2,(H,30,31)(H,32,34)(H,35,36)