3-methyl-2-[[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]amino]-3-[(4-propan-2-ylphenyl)methylsulfanyl]butanoic acid

Systemtic Name: 3-methyl-2-[[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]amino]-3-[(4-propan-2-ylphenyl)methylsulfanyl]butanoic acid Openeye Name: 2-[(3-benzoylsulfanyl-2-methyl-propanoyl)amino]-3-[(4-isopropylphenyl)methylsulfanyl]-3-methyl-butanoic acid CAS Name: 2-[[3-(benzoylthio)-2-methyl-1-oxopropyl]amino]-3-methyl-3-[(4-propan-2-ylphenyl)methylthio]butanoic acid IUPAC Name: 2-[(3-benzoylsulfanyl-2-methylpropanoyl)amino]-3-methyl-3-[(4-propan-2-ylphenyl)methylsulfanyl]butanoic acid Traditional Name: 2-[[3-(benzoylthio)-2-methyl-propanoyl]amino]-3-[(4-isopropylbenzyl)thio]-3-methyl-butyric acid Formula: C26H33NO4S2 MolecularWeight: 487.67452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33NO4S2/c1-17(2)20-13-11-19(12-14-20)16-33-26(4,5)22(24(29)30)27-23(28)18(3)15-32-25(31)21-9-7-6-8-10-21/h6-14,17-18,22H,15-16H2,1-5H3,(H,27,28)(H,29,30)