3-(2,2-dimethyl-1-phenyl-hexyl)sulfanyl-2-[[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]amino]propanoic acid

Systemtic Name: 3-(2,2-dimethyl-1-phenyl-hexyl)sulfanyl-2-[[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]amino]propanoic acid Openeye Name: 2-[(3-benzoylsulfanyl-2-methyl-propanoyl)amino]-3-(2,2-dimethyl-1-phenyl-hexyl)sulfanyl-propanoic acid CAS Name: 2-[[3-(benzoylthio)-2-methyl-1-oxopropyl]amino]-3-[(2,2-dimethyl-1-phenylhexyl)thio]propanoic acid IUPAC Name: 2-[(3-benzoylsulfanyl-2-methylpropanoyl)amino]-3-(2,2-dimethyl-1-phenylhexyl)sulfanylpropanoic acid Traditional Name: 2-[[3-(benzoylthio)-2-methyl-propanoyl]amino]-3-[(2,2-dimethyl-1-phenyl-hexyl)thio]propionic acid Formula: C28H37NO4S2 MolecularWeight: 515.72768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37NO4S2/c1-5-6-17-28(3,4)24(21-13-9-7-10-14-21)34-19-23(26(31)32)29-25(30)20(2)18-35-27(33)22-15-11-8-12-16-22/h7-16,20,23-24H,5-6,17-19H2,1-4H3,(H,29,30)(H,31,32)