2-(2-methyl-3-sulfanyl-propanoyl)oxy-3-(phenylsulfonylamino)propanoic acid

Systemtic Name: 2-(2-methyl-3-sulfanyl-propanoyl)oxy-3-(phenylsulfonylamino)propanoic acid Openeye Name: 3-(benzenesulfonamido)-2-(2-methyl-3-sulfanyl-propanoyl)oxy-propanoic acid CAS Name: 3-(benzenesulfonamido)-2-(3-mercapto-2-methyl-1-oxopropoxy)propanoic acid IUPAC Name: 3-(benzenesulfonamido)-2-(2-methyl-3-sulfanylpropanoyl)oxypropanoic acid Traditional Name: 3-(benzenesulfonamido)-2-(3-mercapto-2-methyl-propanoyl)oxy-propionic acid Formula: C13H17NO6S2 MolecularWeight: 347.40718

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)OC(CNS(=O)(=O)C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(CS)C(=O)OC(CNS(=O)(=O)C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C13H17NO6S2/c1-9(8-21)13(17)20-11(12(15)16)7-14-22(18,19)10-5-3-2-4-6-10/h2-6,9,11,14,21H,7-8H2,1H3,(H,15,16)