4-azanyl-2-[2-[(4-fluorophenyl)methylsulfanyl]ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[2-[(4-fluorophenyl)methylsulfanyl]ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-[(4-fluorophenyl)methylthio]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2-[(4-fluorobenzyl)thio]acetyl]amino]-4-keto-butyric acid Formula: C13H15FN2O4S MolecularWeight: 314.332603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC(=O)NC(CC(=O)N)C(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1CSCC(=O)NC(CC(=O)N)C(=O)O)F

InChI

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