3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]-2-[(2-propan-2-ylphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]-2-[(2-propan-2-ylphenyl)sulfonylamino]propanoic acid Openeye Name: 2-[(2-isopropylphenyl)sulfonylamino]-3-[3-[3-(4-piperidyl)propanoylamino]propanoylamino]propanoic acid CAS Name: 3-[[1-oxo-3-[[1-oxo-3-(4-piperidinyl)propyl]amino]propyl]amino]-2-[(2-propan-2-ylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]-2-[(2-propan-2-ylphenyl)sulfonylamino]propanoic acid Traditional Name: 2-(o-cumenylsulfonylamino)-3-[3-[3-(4-piperidyl)propanoylamino]propanoylamino]propionic acid Formula: C23H36N4O6S MolecularWeight: 496.62014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CCNC(=O)CCC2CCNCC2)C(=O)O

Isomeric SMILES

CC(C)C1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CCNC(=O)CCC2CCNCC2)C(=O)O

InChI

InChI=1S/C23H36N4O6S/c1-16(2)18-5-3-4-6-20(18)34(32,33)27-19(23(30)31)15-26-22(29)11-14-25-21(28)8-7-17-9-12-24-13-10-17/h3-6,16-17,19,24,27H,7-15H2,1-2H3,(H,25,28)(H,26,29)(H,30,31)