3-methyl-2-[2-[(4-methylphenyl)sulfonylamino]ethanoylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[2-[(4-methylphenyl)sulfonylamino]ethanoylamino]pentanoic acid Openeye Name: 3-methyl-2-[[2-(p-tolylsulfonylamino)acetyl]amino]pentanoic acid CAS Name: 3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]pentanoic acid Traditional Name: 3-methyl-2-[[2-(tosylamino)acetyl]amino]valeric acid Formula: C15H22N2O5S MolecularWeight: 342.41058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CNS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CNS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C15H22N2O5S/c1-4-11(3)14(15(19)20)17-13(18)9-16-23(21,22)12-7-5-10(2)6-8-12/h5-8,11,14,16H,4,9H2,1-3H3,(H,17,18)(H,19,20)