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

Systemtic Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid Openeye Name: (2S)-3-methyl-2-(p-tolylsulfonylamino)pentanoic acid CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid IUPAC Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid Traditional Name: (2S)-3-methyl-2-(tosylamino)valeric acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C13H19NO4S/c1-4-10(3)12(13(15)16)14-19(17,18)11-7-5-9(2)6-8-11/h5-8,10,12,14H,4H2,1-3H3,(H,15,16)/t10?,12-/m0/s1