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

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-[2-phenyl-4-(1,3-thiazol-2-ylcarbamoylsulfanylmethyl)phenyl]carbonyl-butanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-[2-phenyl-4-(thiazol-2-ylcarbamoylsulfanylmethyl)benzoyl]butanoic acid CAS Name: 2-amino-4-(methylthio)-2-[oxo-[4-[[[oxo-(2-thiazolylamino)methyl]thio]methyl]-2-phenylphenyl]methyl]butanoic acid IUPAC Name: 2-amino-4-methylsulfanyl-2-[2-phenyl-4-(1,3-thiazol-2-ylcarbamoylsulfanylmethyl)benzoyl]butanoic acid Traditional Name: 2-amino-4-(methylthio)-2-[2-phenyl-4-[(thiazol-2-ylcarbamoylthio)methyl]benzoyl]butyric acid Formula: C23H23N3O4S3 MolecularWeight: 501.64142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O4S3/c1-31-11-9-23(24,20(28)29)19(27)17-8-7-15(13-18(17)16-5-3-2-4-6-16)14-33-22(30)26-21-25-10-12-32-21/h2-8,10,12-13H,9,11,14,24H2,1H3,(H,28,29)(H,25,26,30)