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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CCNC(=O)CCC2CCNCC2)C(=O)O

Isomeric SMILES

CCCC1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CCNC(=O)CCC2CCNCC2)C(=O)O

InChI

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