2-[2-[2-(4-fluorophenyl)sulfanylethanoylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[2-(4-fluorophenyl)sulfanylethanoylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[2-[(4-fluorophenyl)thio]-1-oxoethyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[2-[(4-fluorophenyl)thio]acetyl]amino]acetyl]amino]acetic acid Formula: C12H13FN2O4S MolecularWeight: 300.306023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1F)SCC(=O)NCC(=O)NCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1F)SCC(=O)NCC(=O)NCC(=O)O

InChI

InChI=1S/C12H13FN2O4S/c13-8-1-3-9(4-2-8)20-7-11(17)14-5-10(16)15-6-12(18)19/h1-4H,5-7H2,(H,14,17)(H,15,16)(H,18,19)