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

Systemtic Name: 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-butanoyl]amino]propanoic acid Openeye Name: 2-[[2-(acetylsulfanylmethyl)-3-phenyl-butanoyl]amino]propanoic acid CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylbutyl]amino]propanoic acid IUPAC Name: 2-[[2-(acetylsulfanylmethyl)-3-phenylbutanoyl]amino]propanoic acid Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-butanoyl]amino]propionic acid Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4S/c1-10(13-7-5-4-6-8-13)14(9-22-12(3)18)15(19)17-11(2)16(20)21/h4-8,10-11,14H,9H2,1-3H3,(H,17,19)(H,20,21)