2-azanyl-3-[2-[1-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-[1-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-[1-(4-fluorophenyl)ethylamino]-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-[1-(4-fluorophenyl)ethylamino]-2-keto-ethyl]thio]propionic acid Formula: C13H17FN2O3S MolecularWeight: 300.349083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17FN2O3S/c1-8(9-2-4-10(14)5-3-9)16-12(17)7-20-6-11(15)13(18)19/h2-5,8,11H,6-7,15H2,1H3,(H,16,17)(H,18,19)