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

Systemtic Name: 2-methyl-3-[[3-phenyl-2-(2-phenylethanoylsulfanylmethyl)propanoyl]amino]benzoic acid Openeye Name: 3-[[2-benzyl-3-(2-phenylacetyl)sulfanyl-propanoyl]amino]-2-methyl-benzoic acid CAS Name: 2-methyl-3-[[1-oxo-2-[[(1-oxo-2-phenylethyl)thio]methyl]-3-phenylpropyl]amino]benzoic acid IUPAC Name: 3-[[2-benzyl-3-(2-phenylacetyl)sulfanylpropanoyl]amino]-2-methylbenzoic acid Traditional Name: 3-[[2-benzyl-3-[(2-phenylacetyl)thio]propanoyl]amino]-2-methyl-benzoic acid Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C(CC2=CC=CC=C2)CSC(=O)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C(CC2=CC=CC=C2)CSC(=O)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H25NO4S/c1-18-22(26(30)31)13-8-14-23(18)27-25(29)21(15-19-9-4-2-5-10-19)17-32-24(28)16-20-11-6-3-7-12-20/h2-14,21H,15-17H2,1H3,(H,27,29)(H,30,31)