3-[[2-(2,2-dimethylpropanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-methyl-benzoic acid

Systemtic Name: 3-[[2-(2,2-dimethylpropanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-methyl-benzoic acid Openeye Name: 3-[[2-benzyl-3-(2,2-dimethylpropanoylsulfanyl)propanoyl]amino]-2-methyl-benzoic acid CAS Name: 3-[[2-[[(2,2-dimethyl-1-oxopropyl)thio]methyl]-1-oxo-3-phenylpropyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[[2-benzyl-3-(2,2-dimethylpropanoylsulfanyl)propanoyl]amino]-2-methylbenzoic acid Traditional Name: 3-[[2-benzyl-3-(pivaloylthio)propanoyl]amino]-2-methyl-benzoic acid Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C(CC2=CC=CC=C2)CSC(=O)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C(CC2=CC=CC=C2)CSC(=O)C(C)(C)C)C(=O)O

InChI

InChI=1S/C23H27NO4S/c1-15-18(21(26)27)11-8-12-19(15)24-20(25)17(13-16-9-6-5-7-10-16)14-29-22(28)23(2,3)4/h5-12,17H,13-14H2,1-4H3,(H,24,25)(H,26,27)