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

Systemtic Name: 5-[[2-(aminocarbonylamino)-3-methyl-pentanoyl]amino]-3-methyl-thiophene-2-carboxylic acid Openeye Name: 3-methyl-5-[(3-methyl-2-ureido-pentanoyl)amino]thiophene-2-carboxylic acid CAS Name: 5-[[2-(carbamoylamino)-3-methyl-1-oxopentyl]amino]-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-3-methylthiophene-2-carboxylic acid Traditional Name: 3-methyl-5-[(3-methyl-2-ureido-pentanoyl)amino]-2-thenoic acid Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC(=C(S1)C(=O)O)C)NC(=O)N

Isomeric SMILES

CCC(C)C(C(=O)NC1=CC(=C(S1)C(=O)O)C)NC(=O)N

InChI

InChI=1S/C13H19N3O4S/c1-4-6(2)9(16-13(14)20)11(17)15-8-5-7(3)10(21-8)12(18)19/h5-6,9H,4H2,1-3H3,(H,15,17)(H,18,19)(H3,14,16,20)