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

Systemtic Name: 2-[[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]amino]-3-[(4-propan-2-ylphenyl)methylsulfanyl]propanoate Openeye Name: 2-[(3-benzoylsulfanyl-2-methyl-propanoyl)amino]-3-[(4-isopropylphenyl)methylsulfanyl]propanoate CAS Name: 2-[[3-(benzoylthio)-2-methyl-1-oxopropyl]amino]-3-[(4-propan-2-ylphenyl)methylthio]propanoate IUPAC Name: 2-[(3-benzoylsulfanyl-2-methylpropanoyl)amino]-3-[(4-propan-2-ylphenyl)methylsulfanyl]propanoate Traditional Name: 2-[[3-(benzoylthio)-2-methyl-propanoyl]amino]-3-[(4-isopropylbenzyl)thio]propionate Formula: C24H28NO4S2- MolecularWeight: 458.61342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSCC(C(=O)[O-])NC(=O)C(C)CSC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSCC(C(=O)[O-])NC(=O)C(C)CSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C24H29NO4S2/c1-16(2)19-11-9-18(10-12-19)14-30-15-21(23(27)28)25-22(26)17(3)13-31-24(29)20-7-5-4-6-8-20/h4-12,16-17,21H,13-15H2,1-3H3,(H,25,26)(H,27,28)/p-1