3-[methyl(propan-2-ylsulfonyl)amino]-2-(2-methyl-3-sulfanyl-propanoyl)oxy-propanoic acid

Systemtic Name: 3-[methyl(propan-2-ylsulfonyl)amino]-2-(2-methyl-3-sulfanyl-propanoyl)oxy-propanoic acid Openeye Name: 3-[isopropylsulfonyl(methyl)amino]-2-(2-methyl-3-sulfanyl-propanoyl)oxy-propanoic acid CAS Name: 2-(3-mercapto-2-methyl-1-oxopropoxy)-3-[methyl(propan-2-ylsulfonyl)amino]propanoic acid IUPAC Name: 3-[methyl(propan-2-ylsulfonyl)amino]-2-(2-methyl-3-sulfanylpropanoyl)oxypropanoic acid Traditional Name: 3-[isopropylsulfonyl(methyl)amino]-2-(3-mercapto-2-methyl-propanoyl)oxy-propionic acid Formula: C11H21NO6S2 MolecularWeight: 327.41754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N(C)CC(C(=O)O)OC(=O)C(C)CS

Isomeric SMILES

CC(C)S(=O)(=O)N(C)CC(C(=O)O)OC(=O)C(C)CS

InChI

InChI=1S/C11H21NO6S2/c1-7(2)20(16,17)12(4)5-9(10(13)14)18-11(15)8(3)6-19/h7-9,19H,5-6H2,1-4H3,(H,13,14)