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

Systemtic Name: 2-[(2-methylphenyl)sulfonylamino]-3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]propanoic acid Openeye Name: 2-(o-tolylsulfonylamino)-3-[3-[3-(4-piperidyl)propanoylamino]propanoylamino]propanoic acid CAS Name: 2-[(2-methylphenyl)sulfonylamino]-3-[[1-oxo-3-[[1-oxo-3-(4-piperidinyl)propyl]amino]propyl]amino]propanoic acid IUPAC Name: 2-[(2-methylphenyl)sulfonylamino]-3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]propanoic acid Traditional Name: 2-(o-tolylsulfonylamino)-3-[3-[3-(4-piperidyl)propanoylamino]propanoylamino]propionic acid Formula: C21H32N4O6S MolecularWeight: 468.56698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CCNC(=O)CCC2CCNCC2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CCNC(=O)CCC2CCNCC2)C(=O)O

InChI

InChI=1S/C21H32N4O6S/c1-15-4-2-3-5-18(15)32(30,31)25-17(21(28)29)14-24-20(27)10-13-23-19(26)7-6-16-8-11-22-12-9-16/h2-5,16-17,22,25H,6-14H2,1H3,(H,23,26)(H,24,27)(H,28,29)