(3R)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]-3-quinolin-3-yl-propanoic acid

Systemtic Name: (3R)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]-3-quinolin-3-yl-propanoic acid Openeye Name: (3R)-3-[[(3R)-1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]-3-(3-quinolyl)propanoic acid CAS Name: (3R)-3-[[oxo-[(3R)-1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]-3-(3-quinolinyl)propanoic acid IUPAC Name: (3R)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]-3-quinolin-3-ylpropanoic acid Traditional Name: (3R)-3-[[(3R)-1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]-3-(3-quinolyl)propionic acid Formula: C26H34N4O4 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2CCNCC2)C(=O)NC(CC(=O)O)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)CCC2CCNCC2)C(=O)N[C@H](CC(=O)O)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C26H34N4O4/c31-24(8-7-18-9-11-27-12-10-18)30-13-3-5-20(17-30)26(34)29-23(15-25(32)33)21-14-19-4-1-2-6-22(19)28-16-21/h1-2,4,6,14,16,18,20,23,27H,3,5,7-13,15,17H2,(H,29,34)(H,32,33)/t20-,23-/m1/s1