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

Systemtic Name: 2-[[2-(aminocarbonylamino)-3-methyl-butanoyl]-methyl-amino]benzoic acid Openeye Name: 2-[methyl-(3-methyl-2-ureido-butanoyl)amino]benzoic acid CAS Name: 2-[[2-(carbamoylamino)-3-methyl-1-oxobutyl]-methylamino]benzoic acid IUPAC Name: 2-[[2-(carbamoylamino)-3-methylbutanoyl]-methylamino]benzoic acid Traditional Name: 2-[methyl-(3-methyl-2-ureido-butanoyl)amino]benzoic acid Formula: C14H19N3O4 MolecularWeight: 293.31836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C)C1=CC=CC=C1C(=O)O)NC(=O)N

Isomeric SMILES

CC(C)C(C(=O)N(C)C1=CC=CC=C1C(=O)O)NC(=O)N

InChI

InChI=1S/C14H19N3O4/c1-8(2)11(16-14(15)21)12(18)17(3)10-7-5-4-6-9(10)13(19)20/h4-8,11H,1-3H3,(H,19,20)(H3,15,16,21)