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

Systemtic Name: 4-[(2-azanyl-3-methyl-butanoyl)amino]-3-methyl-benzoic acid Openeye Name: 4-[(2-amino-3-methyl-butanoyl)amino]-3-methyl-benzoic acid CAS Name: 4-[(2-amino-3-methyl-1-oxobutyl)amino]-3-methylbenzoic acid IUPAC Name: 4-[(2-amino-3-methylbutanoyl)amino]-3-methylbenzoic acid Traditional Name: 4-[(2-amino-3-methyl-butanoyl)amino]-3-methyl-benzoic acid Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3/c1-7(2)11(14)12(16)15-10-5-4-9(13(17)18)6-8(10)3/h4-7,11H,14H2,1-3H3,(H,15,16)(H,17,18)