4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-ylsulfanylsulfonylamino)phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-ylsulfanylsulfonylamino)phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-phenyl-4-(3-pyridylsulfanylsulfonylamino)benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[2-phenyl-4-[(3-pyridinylthio)sulfonylamino]phenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-ylsulfanylsulfonylamino)benzoyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-[(3-pyridylthio)sulfonylamino]benzoyl]amino]butyric acid Formula: C23H23N3O5S3 MolecularWeight: 517.64082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NS(=O)(=O)SC2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NS(=O)(=O)SC2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H23N3O5S3/c1-32-13-11-21(23(28)29)25-22(27)19-10-9-17(14-20(19)16-6-3-2-4-7-16)26-34(30,31)33-18-8-5-12-24-15-18/h2-10,12,14-15,21,26H,11,13H2,1H3,(H,25,27)(H,28,29)