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

Systemtic Name: 3-[(4-cyanophenyl)methylsulfanyl]-2-[[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]amino]propanoic acid Openeye Name: 2-[(3-benzoylsulfanyl-2-methyl-propanoyl)amino]-3-[(4-cyanophenyl)methylsulfanyl]propanoic acid CAS Name: 2-[[3-(benzoylthio)-2-methyl-1-oxopropyl]amino]-3-[(4-cyanophenyl)methylthio]propanoic acid IUPAC Name: 2-[(3-benzoylsulfanyl-2-methylpropanoyl)amino]-3-[(4-cyanophenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[[3-(benzoylthio)-2-methyl-propanoyl]amino]-3-[(4-cyanobenzyl)thio]propionic acid Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=O)NC(CSCC2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

CC(CSC(=O)C1=CC=CC=C1)C(=O)NC(CSCC2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C22H22N2O4S2/c1-15(12-30-22(28)18-5-3-2-4-6-18)20(25)24-19(21(26)27)14-29-13-17-9-7-16(11-23)8-10-17/h2-10,15,19H,12-14H2,1H3,(H,24,25)(H,26,27)