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

Systemtic Name: 4-[[2-(aminocarbonylamino)-3-methyl-butanoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[(3-methyl-2-ureido-butanoyl)amino]benzoic acid CAS Name: 4-[[2-(carbamoylamino)-3-methyl-1-oxobutyl]amino]-2-hydroxybenzoic acid IUPAC Name: 4-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-2-hydroxybenzoic acid Traditional Name: 2-hydroxy-4-[(3-methyl-2-ureido-butanoyl)amino]benzoic acid Formula: C13H17N3O5 MolecularWeight: 295.29118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5/c1-6(2)10(16-13(14)21)11(18)15-7-3-4-8(12(19)20)9(17)5-7/h3-6,10,17H,1-2H3,(H,15,18)(H,19,20)(H3,14,16,21)