2-azanyl-5-(3-fluorophenyl)-3-oxidanylidene-2-(sulfanylmethyl)pentanoic acid

Systemtic Name: 2-azanyl-5-(3-fluorophenyl)-3-oxidanylidene-2-(sulfanylmethyl)pentanoic acid Openeye Name: 2-amino-5-(3-fluorophenyl)-3-oxo-2-(sulfanylmethyl)pentanoic acid CAS Name: 2-amino-5-(3-fluorophenyl)-2-(mercaptomethyl)-3-oxopentanoic acid IUPAC Name: 2-amino-5-(3-fluorophenyl)-3-oxo-2-(sulfanylmethyl)pentanoic acid Traditional Name: 2-amino-5-(3-fluorophenyl)-3-keto-2-(mercaptomethyl)valeric acid Formula: C12H14FNO3S MolecularWeight: 271.307863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)CCC(=O)C(CS)(C(=O)O)N

Isomeric SMILES

C1=CC(=CC(=C1)F)CCC(=O)C(CS)(C(=O)O)N

InChI

InChI=1S/C12H14FNO3S/c13-9-3-1-2-8(6-9)4-5-10(15)12(14,7-18)11(16)17/h1-3,6,18H,4-5,7,14H2,(H,16,17)