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

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-[2-phenyl-4-(1,3-thiazol-2-ylcarbamoylsulfanyl)phenyl]carbonyl-butanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-[2-phenyl-4-(thiazol-2-ylcarbamoylsulfanyl)benzoyl]butanoic acid CAS Name: 2-amino-4-(methylthio)-2-[oxo-[4-[[oxo-(2-thiazolylamino)methyl]thio]-2-phenylphenyl]methyl]butanoic acid IUPAC Name: 2-amino-4-methylsulfanyl-2-[2-phenyl-4-(1,3-thiazol-2-ylcarbamoylsulfanyl)benzoyl]butanoic acid Traditional Name: 2-amino-4-(methylthio)-2-[2-phenyl-4-(thiazol-2-ylcarbamoylthio)benzoyl]butyric acid Formula: C22H21N3O4S3 MolecularWeight: 487.61484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4S3/c1-30-11-9-22(23,19(27)28)18(26)16-8-7-15(13-17(16)14-5-3-2-4-6-14)32-21(29)25-20-24-10-12-31-20/h2-8,10,12-13H,9,11,23H2,1H3,(H,27,28)(H,24,25,29)