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

Systemtic Name: 2-[[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]amino]-3-[(4-methylsulfonylphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-[(3-benzoylsulfanyl-2-methyl-propanoyl)amino]-3-[(4-methylsulfonylphenyl)methylsulfanyl]propanoic acid CAS Name: 2-[[3-(benzoylthio)-2-methyl-1-oxopropyl]amino]-3-[(4-methylsulfonylphenyl)methylthio]propanoic acid IUPAC Name: 2-[(3-benzoylsulfanyl-2-methylpropanoyl)amino]-3-[(4-methylsulfonylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[[3-(benzoylthio)-2-methyl-propanoyl]amino]-3-[(4-mesylbenzyl)thio]propionic acid Formula: C22H25NO6S3 MolecularWeight: 495.632

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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)S(=O)(=O)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO6S3/c1-15(12-31-22(27)17-6-4-3-5-7-17)20(24)23-19(21(25)26)14-30-13-16-8-10-18(11-9-16)32(2,28)29/h3-11,15,19H,12-14H2,1-2H3,(H,23,24)(H,25,26)