2-[2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-(N-(3-amino-3-oxo-propyl)-4-fluoro-anilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-(N-(3-amino-3-keto-propyl)-4-fluoro-anilino)-2-keto-ethyl]thio]propionic acid Formula: C14H17FN2O4S MolecularWeight: 328.359183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17FN2O4S/c1-9(14(20)21)22-8-13(19)17(7-6-12(16)18)11-4-2-10(15)3-5-11/h2-5,9H,6-8H2,1H3,(H2,16,18)(H,20,21)