3-(5-naphthalen-2-ylpyridin-3-yl)-3-[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(5-naphthalen-2-ylpyridin-3-yl)-3-[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]propanoic acid Openeye Name: 3-[5-(2-naphthyl)-3-pyridyl]-3-[[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: 3-[5-(2-naphthalenyl)-3-pyridinyl]-3-[[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 3-(5-naphthalen-2-ylpyridin-3-yl)-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 3-[5-(2-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=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC(CN(C1)C(=O)CCC2CCNCC2)C(=O)NC(CC(=O)O)C3=CN=CC(=C3)C4=CC5=CC=CC=C5C=C4

InChI

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