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

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-[2-phenyl-4-(thiophen-2-ylmethylcarbamoylsulfanyl)phenyl]carbonyl-butanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-[2-phenyl-4-(2-thienylmethylcarbamoylsulfanyl)benzoyl]butanoic acid CAS Name: 2-amino-4-(methylthio)-2-[oxo-[4-[[oxo-(thiophen-2-ylmethylamino)methyl]thio]-2-phenylphenyl]methyl]butanoic acid IUPAC Name: 2-amino-4-methylsulfanyl-2-[2-phenyl-4-(thiophen-2-ylmethylcarbamoylsulfanyl)benzoyl]butanoic acid Traditional Name: 2-amino-4-(methylthio)-2-[2-phenyl-4-(2-thenylcarbamoylthio)benzoyl]butyric acid Formula: C24H24N2O4S3 MolecularWeight: 500.65336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O4S3/c1-31-13-11-24(25,22(28)29)21(27)19-10-9-17(14-20(19)16-6-3-2-4-7-16)33-23(30)26-15-18-8-5-12-32-18/h2-10,12,14H,11,13,15,25H2,1H3,(H,26,30)(H,28,29)