(2S,3R)-5-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxidanyl-hexanoic acid

Systemtic Name: (2S,3R)-5-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxidanyl-hexanoic acid Openeye Name: (2S,3R)-2-hydroxy-5-methyl-3-(p-tolylsulfonylamino)hexanoic acid CAS Name: (2S,3R)-2-hydroxy-5-methyl-3-[(4-methylphenyl)sulfonylamino]hexanoic acid IUPAC Name: (2S,3R)-2-hydroxy-5-methyl-3-[(4-methylphenyl)sulfonylamino]hexanoic acid Traditional Name: (2S,3R)-2-hydroxy-5-methyl-3-(tosylamino)hexanoic acid Formula: C14H21NO5S MolecularWeight: 315.38524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC(C)C)[C@@H](C(=O)O)O

InChI

InChI=1S/C14H21NO5S/c1-9(2)8-12(13(16)14(17)18)15-21(19,20)11-6-4-10(3)5-7-11/h4-7,9,12-13,15-16H,8H2,1-3H3,(H,17,18)/t12-,13+/m1/s1