3-(5-naphthalen-1-ylpyridin-3-yl)-3-[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(5-naphthalen-1-ylpyridin-3-yl)-3-[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]propanoic acid Openeye Name: 3-[5-(1-naphthyl)-3-pyridyl]-3-[[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: 3-[5-(1-naphthalenyl)-3-pyridinyl]-3-[[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 3-(5-naphthalen-1-ylpyridin-3-yl)-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 3-[5-(1-naphthyl)-3-pyridyl]-3-[[1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]propionic acid Formula: C32H38N4O4 MolecularWeight: 542.66852

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2CCNCC2)C(=O)NC(CC(=O)O)C3=CN=CC(=C3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CC(CN(C1)C(=O)CCC2CCNCC2)C(=O)NC(CC(=O)O)C3=CN=CC(=C3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C32H38N4O4/c37-30(11-10-22-12-14-33-15-13-22)36-16-4-7-24(21-36)32(40)35-29(18-31(38)39)26-17-25(19-34-20-26)28-9-3-6-23-5-1-2-8-27(23)28/h1-3,5-6,8-9,17,19-20,22,24,29,33H,4,7,10-16,18,21H2,(H,35,40)(H,38,39)