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

Systemtic Name: 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-ylsulfanylcarbonylamino)phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-phenyl-4-(3-pyridylsulfanylcarbonylamino)benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-[[oxo-(3-pyridinylthio)methyl]amino]-2-phenylphenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-ylsulfanylcarbonylamino)benzoyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-[(3-pyridylthio)carbonylamino]benzoyl]amino]butyric acid Formula: C24H23N3O4S2 MolecularWeight: 481.58712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O4S2/c1-32-13-11-21(23(29)30)27-22(28)19-10-9-17(14-20(19)16-6-3-2-4-7-16)26-24(31)33-18-8-5-12-25-15-18/h2-10,12,14-15,21H,11,13H2,1H3,(H,26,31)(H,27,28)(H,29,30)