3-[[1-(4-cyanophenyl)carbonylpiperidin-3-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[[1-(4-cyanophenyl)carbonylpiperidin-3-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[1-(4-cyanobenzoyl)piperidine-3-carbonyl]amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[[1-[(4-cyanophenyl)-oxomethyl]-3-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[1-(4-cyanobenzoyl)piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[[1-(4-cyanobenzoyl)nipecotoyl]amino]propionic acid Formula: C23H24N4O6S MolecularWeight: 484.52486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)C#N)C(=O)NCC(C(=O)O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)C#N)C(=O)NCC(C(=O)O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H24N4O6S/c24-13-16-8-10-17(11-9-16)22(29)27-12-4-5-18(15-27)21(28)25-14-20(23(30)31)26-34(32,33)19-6-2-1-3-7-19/h1-3,6-11,18,20,26H,4-5,12,14-15H2,(H,25,28)(H,30,31)