2-azanyl-4-methylsulfanyl-2-[2-phenyl-4-(1,3-thiazol-2-ylsulfinamoylsulfanyl)phenyl]carbonyl-butanoic acid

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-[2-phenyl-4-(1,3-thiazol-2-ylsulfinamoylsulfanyl)phenyl]carbonyl-butanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-(2-phenyl-4-thiazol-2-ylsulfinamoylsulfanyl-benzoyl)butanoic acid CAS Name: 2-amino-4-(methylthio)-2-[oxo-[2-phenyl-4-(2-thiazolylsulfinamoylthio)phenyl]methyl]butanoic acid IUPAC Name: 2-amino-4-methylsulfanyl-2-[2-phenyl-4-(1,3-thiazol-2-ylsulfinamoylsulfanyl)benzoyl]butanoic acid Traditional Name: 2-amino-4-(methylthio)-2-[2-phenyl-4-(thiazol-2-ylsulfinamoylthio)benzoyl]butyric acid Formula: C21H21N3O4S4 MolecularWeight: 507.66914

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)C1=C(C=C(C=C1)SS(=O)NC2=NC=CS2)C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CSCCC(C(=O)C1=C(C=C(C=C1)SS(=O)NC2=NC=CS2)C3=CC=CC=C3)(C(=O)O)N

InChI

InChI=1S/C21H21N3O4S4/c1-29-11-9-21(22,19(26)27)18(25)16-8-7-15(13-17(16)14-5-3-2-4-6-14)31-32(28)24-20-23-10-12-30-20/h2-8,10,12-13H,9,11,22H2,1H3,(H,23,24)(H,26,27)