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

Systemtic Name: (2S,3R)-2-methyl-3-[(4-methylphenyl)sulfonylamino]pentanoic acid Openeye Name: (2S,3R)-2-methyl-3-(p-tolylsulfonylamino)pentanoic acid CAS Name: (2S,3R)-2-methyl-3-[(4-methylphenyl)sulfonylamino]pentanoic acid IUPAC Name: (2S,3R)-2-methyl-3-[(4-methylphenyl)sulfonylamino]pentanoic acid Traditional Name: (2S,3R)-2-methyl-3-(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

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

InChI

InChI=1S/C13H19NO4S/c1-4-12(10(3)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