2-[[3-(2,2-dimethylpropanoylsulfanyl)-2-methyl-propanoyl]-phenyl-amino]ethanoic acid

Systemtic Name: 2-[[3-(2,2-dimethylpropanoylsulfanyl)-2-methyl-propanoyl]-phenyl-amino]ethanoic acid Openeye Name: 2-(N-[3-(2,2-dimethylpropanoylsulfanyl)-2-methyl-propanoyl]anilino)acetic acid CAS Name: 2-(N-[3-[(2,2-dimethyl-1-oxopropyl)thio]-2-methyl-1-oxopropyl]anilino)acetic acid IUPAC Name: 2-(N-[3-(2,2-dimethylpropanoylsulfanyl)-2-methylpropanoyl]anilino)acetic acid Traditional Name: 2-(N-[2-methyl-3-(pivaloylthio)propanoyl]anilino)acetic acid Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO4S/c1-12(11-23-16(22)17(2,3)4)15(21)18(10-14(19)20)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,19,20)