4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazolidin-4-ylcarbonylamino)phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazolidin-4-ylcarbonylamino)phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-phenyl-4-(thiazolidine-4-carbonylamino)benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-[[oxo(4-thiazolidinyl)methyl]amino]-2-phenylphenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazolidine-4-carbonylamino)benzoyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-(thiazolidine-4-carbonylamino)benzoyl]amino]butyric acid Formula: C22H25N3O4S2 MolecularWeight: 459.5816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NC(=O)C2CSCN2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NC(=O)C2CSCN2)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4S2/c1-30-10-9-18(22(28)29)25-20(26)16-8-7-15(24-21(27)19-12-31-13-23-19)11-17(16)14-5-3-2-4-6-14/h2-8,11,18-19,23H,9-10,12-13H2,1H3,(H,24,27)(H,25,26)(H,28,29)