3-[[2-(aminocarbonylamino)-3-methyl-butanoyl]amino]-4-methyl-benzoic acid

Systemtic Name: 3-[[2-(aminocarbonylamino)-3-methyl-butanoyl]amino]-4-methyl-benzoic acid Openeye Name: 4-methyl-3-[(3-methyl-2-ureido-butanoyl)amino]benzoic acid CAS Name: 3-[[2-(carbamoylamino)-3-methyl-1-oxobutyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-4-methylbenzoic acid Traditional Name: 4-methyl-3-[(3-methyl-2-ureido-butanoyl)amino]benzoic acid Formula: C14H19N3O4 MolecularWeight: 293.31836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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