2-[[4-(4-dimethylaminophenyl)phenyl]sulfonylamino]-5-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-[[4-(4-dimethylaminophenyl)phenyl]sulfonylamino]-5-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(1-carboxy-3-methylsulfanyl-propyl)amino]-2-[[4-(4-dimethylaminophenyl)phenyl]sulfonylamino]-5-oxo-pentanoic acid CAS Name: 2-[[4-(4-dimethylaminophenyl)phenyl]sulfonylamino]-5-[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-[[4-(4-dimethylaminophenyl)phenyl]sulfonylamino]-5-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid Traditional Name: 5-[[1-carboxy-3-(methylthio)propyl]amino]-2-[[4-(4-dimethylaminophenyl)phenyl]sulfonylamino]-5-keto-valeric acid Formula: C24H31N3O7S2 MolecularWeight: 537.64884

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CCC(=O)NC(CCSC)C(=O)O)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CCC(=O)NC(CCSC)C(=O)O)C(=O)O

InChI

InChI=1S/C24H31N3O7S2/c1-27(2)18-8-4-16(5-9-18)17-6-10-19(11-7-17)36(33,34)26-21(24(31)32)12-13-22(28)25-20(23(29)30)14-15-35-3/h4-11,20-21,26H,12-15H2,1-3H3,(H,25,28)(H,29,30)(H,31,32)