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

Systemtic Name: 2-azanyl-3-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]thio]propionic acid Formula: C12H15FN2O3S MolecularWeight: 286.322503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CSCC(C(=O)O)N)F

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CSCC(C(=O)O)N)F

InChI

InChI=1S/C12H15FN2O3S/c13-9-3-1-8(2-4-9)5-15-11(16)7-19-6-10(14)12(17)18/h1-4,10H,5-7,14H2,(H,15,16)(H,17,18)