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

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-[2-phenyl-4-(1,3-thiazol-2-ylsulfamoylsulfanylmethyl)phenyl]carbonyl-butanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-[2-phenyl-4-(thiazol-2-ylsulfamoylsulfanylmethyl)benzoyl]butanoic acid CAS Name: 2-amino-4-(methylthio)-2-[oxo-[2-phenyl-4-[(2-thiazolylsulfamoylthio)methyl]phenyl]methyl]butanoic acid IUPAC Name: 2-amino-4-methylsulfanyl-2-[2-phenyl-4-(1,3-thiazol-2-ylsulfamoylsulfanylmethyl)benzoyl]butanoic acid Traditional Name: 2-amino-4-(methylthio)-2-[2-phenyl-4-[(thiazol-2-ylsulfamoylthio)methyl]benzoyl]butyric acid Formula: C22H23N3O5S4 MolecularWeight: 537.69512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5S4/c1-31-11-9-22(23,20(27)28)19(26)17-8-7-15(13-18(17)16-5-3-2-4-6-16)14-33-34(29,30)25-21-24-10-12-32-21/h2-8,10,12-13H,9,11,14,23H2,1H3,(H,24,25)(H,27,28)