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

Systemtic Name: 4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazolidin-4-ylmethylamino)phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-phenyl-4-(thiazolidin-4-ylmethylamino)benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[2-phenyl-4-(4-thiazolidinylmethylamino)phenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazolidin-4-ylmethylamino)benzoyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-(thiazolidin-4-ylmethylamino)benzoyl]amino]butyric acid Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NCC2CSCN2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NCC2CSCN2)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S2/c1-29-10-9-20(22(27)28)25-21(26)18-8-7-16(23-12-17-13-30-14-24-17)11-19(18)15-5-3-2-4-6-15/h2-8,11,17,20,23-24H,9-10,12-14H2,1H3,(H,25,26)(H,27,28)