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

Systemtic Name: 5-[[2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]amino]-3-methyl-thiophene-2-carboxylic acid Openeye Name: 3-methyl-5-[(4-methylsulfanyl-2-ureido-butanoyl)amino]thiophene-2-carboxylic acid CAS Name: 5-[[2-(carbamoylamino)-4-(methylthio)-1-oxobutyl]amino]-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-3-methylthiophene-2-carboxylic acid Traditional Name: 3-methyl-5-[[4-(methylthio)-2-ureido-butanoyl]amino]-2-thenoic acid Formula: C12H17N3O4S2 MolecularWeight: 331.41108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4S2/c1-6-5-8(21-9(6)11(17)18)15-10(16)7(3-4-20-2)14-12(13)19/h5,7H,3-4H2,1-2H3,(H,15,16)(H,17,18)(H3,13,14,19)