(2R)-3-methyl-2-[[4-[(4-methylsulfanylphenyl)carbonylamino]phenyl]sulfonylamino]butanoic acid

Systemtic Name: (2R)-3-methyl-2-[[4-[(4-methylsulfanylphenyl)carbonylamino]phenyl]sulfonylamino]butanoic acid Openeye Name: (2R)-3-methyl-2-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]sulfonylamino]butanoic acid CAS Name: (2R)-3-methyl-2-[[4-[[[4-(methylthio)phenyl]-oxomethyl]amino]phenyl]sulfonylamino]butanoic acid IUPAC Name: (2R)-3-methyl-2-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]sulfonylamino]butanoic acid Traditional Name: (2R)-3-methyl-2-[[4-[[4-(methylthio)benzoyl]amino]phenyl]sulfonylamino]butyric acid Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)[C@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C19H22N2O5S2/c1-12(2)17(19(23)24)21-28(25,26)16-10-6-14(7-11-16)20-18(22)13-4-8-15(27-3)9-5-13/h4-12,17,21H,1-3H3,(H,20,22)(H,23,24)/t17-/m1/s1