3-[[2-(aminocarbonylamino)-3-methyl-butanoyl]amino]benzoic acid

Systemtic Name: 3-[[2-(aminocarbonylamino)-3-methyl-butanoyl]amino]benzoic acid Openeye Name: 3-[(3-methyl-2-ureido-butanoyl)amino]benzoic acid CAS Name: 3-[[2-(carbamoylamino)-3-methyl-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[[2-(carbamoylamino)-3-methylbutanoyl]amino]benzoic acid Traditional Name: 3-[(3-methyl-2-ureido-butanoyl)amino]benzoic acid Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC(=C1)C(=O)O)NC(=O)N

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=CC(=C1)C(=O)O)NC(=O)N

InChI

InChI=1S/C13H17N3O4/c1-7(2)10(16-13(14)20)11(17)15-9-5-3-4-8(6-9)12(18)19/h3-7,10H,1-2H3,(H,15,17)(H,18,19)(H3,14,16,20)