2-azanyl-3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl]thio]propionic acid Formula: C13H17FN2O3S MolecularWeight: 300.349083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)CSCC(C(=O)O)N)F

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)CSCC(C(=O)O)N)F

InChI

InChI=1S/C13H17FN2O3S/c14-10-3-1-9(2-4-10)5-6-16-12(17)8-20-7-11(15)13(18)19/h1-4,11H,5-8,15H2,(H,16,17)(H,18,19)