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

Systemtic Name: 3-[methyl(methylsulfonyl)amino]-2-(2-methyl-3-sulfanyl-propanoyl)oxy-propanoic acid Openeye Name: 3-[methyl(methylsulfonyl)amino]-2-(2-methyl-3-sulfanyl-propanoyl)oxy-propanoic acid CAS Name: 2-(3-mercapto-2-methyl-1-oxopropoxy)-3-[methyl(methylsulfonyl)amino]propanoic acid IUPAC Name: 3-[methyl(methylsulfonyl)amino]-2-(2-methyl-3-sulfanylpropanoyl)oxypropanoic acid Traditional Name: 2-(3-mercapto-2-methyl-propanoyl)oxy-3-[mesyl(methyl)amino]propionic acid Formula: C9H17NO6S2 MolecularWeight: 299.36438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H17NO6S2/c1-6(5-17)9(13)16-7(8(11)12)4-10(2)18(3,14)15/h6-7,17H,4-5H2,1-3H3,(H,11,12)