2-[(2-acetamido-3-methyl-butanoyl)amino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[(2-acetamido-3-methyl-butanoyl)amino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(2-acetamido-3-methyl-butanoyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[(2-acetamido-3-methyl-1-oxobutyl)amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(2-acetamido-3-methylbutanoyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[(2-acetamido-3-methyl-butanoyl)amino]-4-mesyl-butyric acid Formula: C12H22N2O6S MolecularWeight: 322.37788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCS(=O)(=O)C)C(=O)O)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)NC(CCS(=O)(=O)C)C(=O)O)NC(=O)C

InChI

InChI=1S/C12H22N2O6S/c1-7(2)10(13-8(3)15)11(16)14-9(12(17)18)5-6-21(4,19)20/h7,9-10H,5-6H2,1-4H3,(H,13,15)(H,14,16)(H,17,18)