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

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-[2-phenyl-4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]carbonyl-butanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-[2-phenyl-4-(thiazol-2-ylsulfanylmethyl)benzoyl]butanoic acid CAS Name: 2-amino-4-(methylthio)-2-[oxo-[2-phenyl-4-[(2-thiazolylthio)methyl]phenyl]methyl]butanoic acid IUPAC Name: 2-amino-4-methylsulfanyl-2-[2-phenyl-4-(1,3-thiazol-2-ylsulfanylmethyl)benzoyl]butanoic acid Traditional Name: 2-amino-4-(methylthio)-2-[2-phenyl-4-[(thiazol-2-ylthio)methyl]benzoyl]butyric acid Formula: C22H22N2O3S3 MolecularWeight: 458.61668

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)C1=C(C=C(C=C1)CSC2=NC=CS2)C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CSCCC(C(=O)C1=C(C=C(C=C1)CSC2=NC=CS2)C3=CC=CC=C3)(C(=O)O)N

InChI

InChI=1S/C22H22N2O3S3/c1-28-11-9-22(23,20(26)27)19(25)17-8-7-15(14-30-21-24-10-12-29-21)13-18(17)16-5-3-2-4-6-16/h2-8,10,12-13H,9,11,14,23H2,1H3,(H,26,27)