4-azanyl-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[3-[(4-fluorophenyl)thio]propanoylamino]-4-keto-butyric acid Formula: C13H15FN2O4S MolecularWeight: 314.332603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1F)SCCC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1F)SCCC(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C13H15FN2O4S/c14-8-1-3-9(4-2-8)21-6-5-12(18)16-10(13(19)20)7-11(15)17/h1-4,10H,5-7H2,(H2,15,17)(H,16,18)(H,19,20)