2-[[2-(aminocarbonylamino)-3-methyl-butanoyl]amino]-6-fluoranyl-benzoic acid

Systemtic Name: 2-[[2-(aminocarbonylamino)-3-methyl-butanoyl]amino]-6-fluoranyl-benzoic acid Openeye Name: 2-fluoro-6-[(3-methyl-2-ureido-butanoyl)amino]benzoic acid CAS Name: 2-[[2-(carbamoylamino)-3-methyl-1-oxobutyl]amino]-6-fluorobenzoic acid IUPAC Name: 2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-6-fluorobenzoic acid Traditional Name: 2-fluoro-6-[(3-methyl-2-ureido-butanoyl)amino]benzoic acid Formula: C13H16FN3O4 MolecularWeight: 297.282243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16FN3O4/c1-6(2)10(17-13(15)21)11(18)16-8-5-3-4-7(14)9(8)12(19)20/h3-6,10H,1-2H3,(H,16,18)(H,19,20)(H3,15,17,21)