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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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