3-[(2-acetamido-4-methylsulfanyl-butanoyl)amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid

Systemtic Name: 3-[(2-acetamido-4-methylsulfanyl-butanoyl)amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: 3-[(2-acetamido-4-methylsulfanyl-butanoyl)amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 3-[[2-acetamido-4-(methylthio)-1-oxobutyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: 3-[(2-acetamido-4-methylsulfanylbutanoyl)amino]-5-fluoro-4-oxopentanoic acid Traditional Name: 3-[[2-acetamido-4-(methylthio)butanoyl]amino]-5-fluoro-4-keto-valeric acid Formula: C12H19FN2O5S MolecularWeight: 322.353063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19FN2O5S/c1-7(16)14-8(3-4-21-2)12(20)15-9(5-11(18)19)10(17)6-13/h8-9H,3-6H2,1-2H3,(H,14,16)(H,15,20)(H,18,19)