3-[(2-acetamido-4-fluoranyl-3-methyl-butanoyl)amino]-6-fluoranyl-4,5-bis(oxidanylidene)hexanoic acid

Systemtic Name: 3-[(2-acetamido-4-fluoranyl-3-methyl-butanoyl)amino]-6-fluoranyl-4,5-bis(oxidanylidene)hexanoic acid Openeye Name: 3-[(2-acetamido-4-fluoro-3-methyl-butanoyl)amino]-6-fluoro-4,5-dioxo-hexanoic acid CAS Name: 3-[(2-acetamido-4-fluoro-3-methyl-1-oxobutyl)amino]-6-fluoro-4,5-dioxohexanoic acid IUPAC Name: 3-[(2-acetamido-4-fluoro-3-methylbutanoyl)amino]-6-fluoro-4,5-dioxohexanoic acid Traditional Name: 3-[(2-acetamido-4-fluoro-3-methyl-butanoyl)amino]-6-fluoro-4,5-diketo-hexanoic acid Formula: C13H18F2N2O6 MolecularWeight: 336.288626

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Descriptors Computed from Structure

Canonical SMILES:

CC(CF)C(C(=O)NC(CC(=O)O)C(=O)C(=O)CF)NC(=O)C

Isomeric SMILES

CC(CF)C(C(=O)NC(CC(=O)O)C(=O)C(=O)CF)NC(=O)C

InChI

InChI=1S/C13H18F2N2O6/c1-6(4-14)11(16-7(2)18)13(23)17-8(3-10(20)21)12(22)9(19)5-15/h6,8,11H,3-5H2,1-2H3,(H,16,18)(H,17,23)(H,20,21)