2-[[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]amino]-3-[(4-methylphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]amino]-3-[(4-methylphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-[(3-benzoylsulfanyl-2-methyl-propanoyl)amino]-3-(p-tolylmethylsulfanyl)propanoic acid CAS Name: 2-[[3-(benzoylthio)-2-methyl-1-oxopropyl]amino]-3-[(4-methylphenyl)methylthio]propanoic acid IUPAC Name: 2-[(3-benzoylsulfanyl-2-methylpropanoyl)amino]-3-[(4-methylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[[3-(benzoylthio)-2-methyl-propanoyl]amino]-3-[(4-methylbenzyl)thio]propionic acid Formula: C22H25NO4S2 MolecularWeight: 431.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)C(C)CSC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)C(C)CSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H25NO4S2/c1-15-8-10-17(11-9-15)13-28-14-19(21(25)26)23-20(24)16(2)12-29-22(27)18-6-4-3-5-7-18/h3-11,16,19H,12-14H2,1-2H3,(H,23,24)(H,25,26)