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

Systemtic Name: 5-[[2-(aminocarbonylamino)-3-methyl-butanoyl]amino]-3-methyl-thiophene-2-carboxylic acid Openeye Name: 3-methyl-5-[(3-methyl-2-ureido-butanoyl)amino]thiophene-2-carboxylic acid CAS Name: 5-[[2-(carbamoylamino)-3-methyl-1-oxobutyl]amino]-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-3-methylthiophene-2-carboxylic acid Traditional Name: 3-methyl-5-[(3-methyl-2-ureido-butanoyl)amino]-2-thenoic acid Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4S/c1-5(2)8(15-12(13)19)10(16)14-7-4-6(3)9(20-7)11(17)18/h4-5,8H,1-3H3,(H,14,16)(H,17,18)(H3,13,15,19)