3-[(4-cyclohexylphenyl)methylsulfanyl]-2-(2-methylpropanoylamino)-3-(phenylcarbonylsulfanyl)propanoic acid

Systemtic Name: 3-[(4-cyclohexylphenyl)methylsulfanyl]-2-(2-methylpropanoylamino)-3-(phenylcarbonylsulfanyl)propanoic acid Openeye Name: 3-benzoylsulfanyl-3-[(4-cyclohexylphenyl)methylsulfanyl]-2-(2-methylpropanoylamino)propanoic acid CAS Name: 3-(benzoylthio)-3-[(4-cyclohexylphenyl)methylthio]-2-[(2-methyl-1-oxopropyl)amino]propanoic acid IUPAC Name: 3-benzoylsulfanyl-3-[(4-cyclohexylphenyl)methylsulfanyl]-2-(2-methylpropanoylamino)propanoic acid Traditional Name: 3-(benzoylthio)-3-[(4-cyclohexylbenzyl)thio]-2-(isobutyrylamino)propionic acid Formula: C27H33NO4S2 MolecularWeight: 499.68522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(C(SCC1=CC=C(C=C1)C2CCCCC2)SC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)C(=O)NC(C(SCC1=CC=C(C=C1)C2CCCCC2)SC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C27H33NO4S2/c1-18(2)24(29)28-23(25(30)31)27(34-26(32)22-11-7-4-8-12-22)33-17-19-13-15-21(16-14-19)20-9-5-3-6-10-20/h4,7-8,11-16,18,20,23,27H,3,5-6,9-10,17H2,1-2H3,(H,28,29)(H,30,31)