2-[[2-(aminocarbonylamino)-3-methyl-butanoyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid

Systemtic Name: 2-[[2-(aminocarbonylamino)-3-methyl-butanoyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid Openeye Name: 4,5-dimethyl-2-[(3-methyl-2-ureido-butanoyl)amino]thiophene-3-carboxylic acid CAS Name: 2-[[2-(carbamoylamino)-3-methyl-1-oxobutyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid IUPAC Name: 2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid Traditional Name: 4,5-dimethyl-2-[(3-methyl-2-ureido-butanoyl)amino]-3-thenoic acid Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)NC(=O)C(C(C)C)NC(=O)N)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)NC(=O)C(C(C)C)NC(=O)N)C

InChI

InChI=1S/C13H19N3O4S/c1-5(2)9(15-13(14)20)10(17)16-11-8(12(18)19)6(3)7(4)21-11/h5,9H,1-4H3,(H,16,17)(H,18,19)(H3,14,15,20)