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

Systemtic Name: 3-(phenylsulfonylamino)-3-[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]propanoic acid Openeye Name: 3-(benzenesulfonamido)-3-[[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: 3-(benzenesulfonamido)-3-[[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 3-(benzenesulfonamido)-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 3-(benzenesulfonamido)-3-[[1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]propionic acid Formula: C23H34N4O6S MolecularWeight: 494.60426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N4O6S/c28-21(9-8-17-10-12-24-13-11-17)27-14-4-5-18(16-27)23(31)25-20(15-22(29)30)26-34(32,33)19-6-2-1-3-7-19/h1-3,6-7,17-18,20,24,26H,4-5,8-16H2,(H,25,31)(H,29,30)