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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C(CC1=CC=CC=C1)CSC(=O)C)C(=O)O

Isomeric SMILES

CC(CNC(=O)C(CC1=CC=CC=C1)CSC(=O)C)C(=O)O

InChI

InChI=1S/C16H21NO4S/c1-11(16(20)21)9-17-15(19)14(10-22-12(2)18)8-13-6-4-3-5-7-13/h3-7,11,14H,8-10H2,1-2H3,(H,17,19)(H,20,21)