2-[[2-(aminocarbonylamino)-3-methyl-butanoyl]amino]-5-fluoranyl-benzoic acid

Systemtic Name: 2-[[2-(aminocarbonylamino)-3-methyl-butanoyl]amino]-5-fluoranyl-benzoic acid Openeye Name: 5-fluoro-2-[(3-methyl-2-ureido-butanoyl)amino]benzoic acid CAS Name: 2-[[2-(carbamoylamino)-3-methyl-1-oxobutyl]amino]-5-fluorobenzoic acid IUPAC Name: 2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-5-fluorobenzoic acid Traditional Name: 5-fluoro-2-[(3-methyl-2-ureido-butanoyl)amino]benzoic acid Formula: C13H16FN3O4 MolecularWeight: 297.282243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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