5-[(2-acetamido-3-methyl-butanoyl)amino]-3-methyl-thiophene-2-carboxylic acid

Systemtic Name: 5-[(2-acetamido-3-methyl-butanoyl)amino]-3-methyl-thiophene-2-carboxylic acid Openeye Name: 5-[(2-acetamido-3-methyl-butanoyl)amino]-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-[(2-acetamido-3-methyl-1-oxobutyl)amino]-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-[(2-acetamido-3-methylbutanoyl)amino]-3-methylthiophene-2-carboxylic acid Traditional Name: 5-[(2-acetamido-3-methyl-butanoyl)amino]-3-methyl-2-thenoic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C(C(C)C)NC(=O)C)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C(C(C)C)NC(=O)C)C(=O)O

InChI

InChI=1S/C13H18N2O4S/c1-6(2)10(14-8(4)16)12(17)15-9-5-7(3)11(20-9)13(18)19/h5-6,10H,1-4H3,(H,14,16)(H,15,17)(H,18,19)