4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazol-2-ylcarbonyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazol-2-ylcarbonyl)phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-phenyl-4-(thiazole-2-carbonyl)benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-[oxo(2-thiazolyl)methyl]-2-phenylphenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazole-2-carbonyl)benzoyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-(thiazole-2-carbonyl)benzoyl]amino]butyric acid Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)C(=O)C2=NC=CS2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)C(=O)C2=NC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C22H20N2O4S2/c1-29-11-9-18(22(27)28)24-20(26)16-8-7-15(19(25)21-23-10-12-30-21)13-17(16)14-5-3-2-4-6-14/h2-8,10,12-13,18H,9,11H2,1H3,(H,24,26)(H,27,28)