3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoyl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoyl]amino]butanoic acid Openeye Name: 2-[[3-benzylsulfanyl-2-(p-tolylsulfonylamino)propanoyl]amino]-3-methyl-butanoic acid CAS Name: 3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]-1-oxo-3-(phenylmethylthio)propyl]amino]butanoic acid IUPAC Name: 2-[[3-benzylsulfanyl-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[3-(benzylthio)-2-(tosylamino)propanoyl]amino]-3-methyl-butyric acid Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C22H28N2O5S2/c1-15(2)20(22(26)27)23-21(25)19(14-30-13-17-7-5-4-6-8-17)24-31(28,29)18-11-9-16(3)10-12-18/h4-12,15,19-20,24H,13-14H2,1-3H3,(H,23,25)(H,26,27)