2-[[2-(ethanoylsulfanylmethyl)-3-(4-fluorophenyl)butanoyl]amino]propanoic acid

Systemtic Name: 2-[[2-(ethanoylsulfanylmethyl)-3-(4-fluorophenyl)butanoyl]amino]propanoic acid Openeye Name: 2-[[2-(acetylsulfanylmethyl)-3-(4-fluorophenyl)butanoyl]amino]propanoic acid CAS Name: 2-[[2-[(acetylthio)methyl]-3-(4-fluorophenyl)-1-oxobutyl]amino]propanoic acid IUPAC Name: 2-[[2-(acetylsulfanylmethyl)-3-(4-fluorophenyl)butanoyl]amino]propanoic acid Traditional Name: 2-[[2-[(acetylthio)methyl]-3-(4-fluorophenyl)butanoyl]amino]propionic acid Formula: C16H20FNO4S MolecularWeight: 341.397703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)C(CSC(=O)C)C(=O)NC(C)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)F)C(CSC(=O)C)C(=O)NC(C)C(=O)O

InChI

InChI=1S/C16H20FNO4S/c1-9(12-4-6-13(17)7-5-12)14(8-23-11(3)19)15(20)18-10(2)16(21)22/h4-7,9-10,14H,8H2,1-3H3,(H,18,20)(H,21,22)