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

Systemtic Name: 3-[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]-3-(5-thiophen-3-ylpyridin-3-yl)propanoic acid Openeye Name: 3-[[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]-3-[5-(3-thienyl)-3-pyridyl]propanoic acid CAS Name: 3-[[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]-3-[5-(3-thiophenyl)-3-pyridinyl]propanoic acid IUPAC Name: 3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]-3-(5-thiophen-3-ylpyridin-3-yl)propanoic acid Traditional Name: 3-[[1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]-3-[5-(3-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=CSC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O4S/c31-24(4-3-18-5-8-27-9-6-18)30-10-1-2-19(16-30)26(34)29-23(13-25(32)33)22-12-21(14-28-15-22)20-7-11-35-17-20/h7,11-12,14-15,17-19,23,27H,1-6,8-10,13,16H2,(H,29,34)(H,32,33)