2-[[2-(2,2-diphenylethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-phenylazanyl-pentanedioic acid

Systemtic Name: 2-[[2-(2,2-diphenylethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-phenylazanyl-pentanedioic acid Openeye Name: 2-anilino-2-[[2-benzyl-3-(2,2-diphenylacetyl)sulfanyl-propanoyl]amino]pentanedioic acid CAS Name: 2-anilino-2-[[1-oxo-2-[[(1-oxo-2,2-diphenylethyl)thio]methyl]-3-phenylpropyl]amino]pentanedioic acid IUPAC Name: 2-anilino-2-[[2-benzyl-3-(2,2-diphenylacetyl)sulfanylpropanoyl]amino]pentanedioic acid Traditional Name: 2-anilino-2-[[2-benzyl-3-[(2,2-diphenylacetyl)thio]propanoyl]amino]glutaric acid Formula: C35H34N2O6S MolecularWeight: 610.71926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC(CCC(=O)O)(C(=O)O)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(CSC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC(CCC(=O)O)(C(=O)O)NC4=CC=CC=C4

InChI

InChI=1S/C35H34N2O6S/c38-30(39)21-22-35(34(42)43,36-29-19-11-4-12-20-29)37-32(40)28(23-25-13-5-1-6-14-25)24-44-33(41)31(26-15-7-2-8-16-26)27-17-9-3-10-18-27/h1-20,28,31,36H,21-24H2,(H,37,40)(H,38,39)(H,42,43)