2-[[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]amino]-3-[1-(4-propan-2-ylphenyl)ethylsulfanyl]propanoate

Systemtic Name: 2-[[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]amino]-3-[1-(4-propan-2-ylphenyl)ethylsulfanyl]propanoate Openeye Name: 2-[(3-benzoylsulfanyl-2-methyl-propanoyl)amino]-3-[1-(4-isopropylphenyl)ethylsulfanyl]propanoate CAS Name: 2-[[3-(benzoylthio)-2-methyl-1-oxopropyl]amino]-3-[1-(4-propan-2-ylphenyl)ethylthio]propanoate IUPAC Name: 2-[(3-benzoylsulfanyl-2-methylpropanoyl)amino]-3-[1-(4-propan-2-ylphenyl)ethylsulfanyl]propanoate Traditional Name: 2-[[3-(benzoylthio)-2-methyl-propanoyl]amino]-3-(1-p-cumenylethylthio)propionate Formula: C25H30NO4S2- MolecularWeight: 472.64

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO4S2/c1-16(2)19-10-12-20(13-11-19)18(4)31-15-22(24(28)29)26-23(27)17(3)14-32-25(30)21-8-6-5-7-9-21/h5-13,16-18,22H,14-15H2,1-4H3,(H,26,27)(H,28,29)/p-1