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

Systemtic Name: 3-[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]-3-(5-thiophen-2-ylpyridin-3-yl)propanoic acid Openeye Name: 3-[[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]-3-[5-(2-thienyl)-3-pyridyl]propanoic acid CAS Name: 3-[[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]-3-(5-thiophen-2-yl-3-pyridinyl)propanoic acid IUPAC Name: 3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]-3-(5-thiophen-2-ylpyridin-3-yl)propanoic acid Traditional Name: 3-[[1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]-3-[5-(2-thienyl)-3-pyridyl]propionic acid Formula: C26H34N4O4S MolecularWeight: 498.63756

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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=CS4

Isomeric SMILES

C1CC(CN(C1)C(=O)CCC2CCNCC2)C(=O)NC(CC(=O)O)C3=CN=CC(=C3)C4=CC=CS4

InChI

InChI=1S/C26H34N4O4S/c31-24(6-5-18-7-9-27-10-8-18)30-11-1-3-19(17-30)26(34)29-22(14-25(32)33)20-13-21(16-28-15-20)23-4-2-12-35-23/h2,4,12-13,15-16,18-19,22,27H,1,3,5-11,14,17H2,(H,29,34)(H,32,33)