2-azanyl-4-methylsulfanyl-2-[2-phenyl-4-(thiophen-2-ylmethylsulfamoylsulfanyl)phenyl]carbonyl-butanoic acid

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-[2-phenyl-4-(thiophen-2-ylmethylsulfamoylsulfanyl)phenyl]carbonyl-butanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-[2-phenyl-4-(2-thienylmethylsulfamoylsulfanyl)benzoyl]butanoic acid CAS Name: 2-amino-4-(methylthio)-2-[oxo-[2-phenyl-4-(thiophen-2-ylmethylsulfamoylthio)phenyl]methyl]butanoic acid IUPAC Name: 2-amino-4-methylsulfanyl-2-[2-phenyl-4-(thiophen-2-ylmethylsulfamoylsulfanyl)benzoyl]butanoic acid Traditional Name: 2-amino-4-(methylthio)-2-[2-phenyl-4-(2-thenylsulfamoylthio)benzoyl]butyric acid Formula: C23H24N2O5S4 MolecularWeight: 536.70706

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)C1=C(C=C(C=C1)SS(=O)(=O)NCC2=CC=CS2)C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CSCCC(C(=O)C1=C(C=C(C=C1)SS(=O)(=O)NCC2=CC=CS2)C3=CC=CC=C3)(C(=O)O)N

InChI

InChI=1S/C23H24N2O5S4/c1-31-13-11-23(24,22(27)28)21(26)19-10-9-17(14-20(19)16-6-3-2-4-7-16)33-34(29,30)25-15-18-8-5-12-32-18/h2-10,12,14,25H,11,13,15,24H2,1H3,(H,27,28)