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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)C(C(C)C)NC(=O)N)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)C(C(C)C)NC(=O)N)C(=O)O

InChI

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