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

Systemtic Name: 3-[[2-(aminocarbonylamino)-3-methyl-pentanoyl]amino]thiophene-2-carboxylic acid Openeye Name: 3-[(3-methyl-2-ureido-pentanoyl)amino]thiophene-2-carboxylic acid CAS Name: 3-[[2-(carbamoylamino)-3-methyl-1-oxopentyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-[[2-(carbamoylamino)-3-methylpentanoyl]amino]thiophene-2-carboxylic acid Traditional Name: 3-[(3-methyl-2-ureido-pentanoyl)amino]-2-thenoic acid Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=C(SC=C1)C(=O)O)NC(=O)N

Isomeric SMILES

CCC(C)C(C(=O)NC1=C(SC=C1)C(=O)O)NC(=O)N

InChI

InChI=1S/C12H17N3O4S/c1-3-6(2)8(15-12(13)19)10(16)14-7-4-5-20-9(7)11(17)18/h4-6,8H,3H2,1-2H3,(H,14,16)(H,17,18)(H3,13,15,19)