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

Systemtic Name: 2-(phenylsulfonylmethyl)-3-[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]propanoic acid Openeye Name: 2-(benzenesulfonylmethyl)-3-[[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: 2-(benzenesulfonylmethyl)-3-[[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonylmethyl)-3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 2-(besylmethyl)-3-[[1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]propionic acid Formula: C24H35N3O6S MolecularWeight: 493.6162

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2CCNCC2)C(=O)NCC(CS(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CCC2CCNCC2)C(=O)NCC(CS(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H35N3O6S/c28-22(9-8-18-10-12-25-13-11-18)27-14-4-5-19(16-27)23(29)26-15-20(24(30)31)17-34(32,33)21-6-2-1-3-7-21/h1-3,6-7,18-20,25H,4-5,8-17H2,(H,26,29)(H,30,31)