3-[2-(4-cyclohexylphenyl)propan-2-ylsulfanyl]-2-[(2-methyl-3-sulfanyl-propanoyl)amino]propanoic acid

Systemtic Name: 3-[2-(4-cyclohexylphenyl)propan-2-ylsulfanyl]-2-[(2-methyl-3-sulfanyl-propanoyl)amino]propanoic acid Openeye Name: 3-[1-(4-cyclohexylphenyl)-1-methyl-ethyl]sulfanyl-2-[(2-methyl-3-sulfanyl-propanoyl)amino]propanoic acid CAS Name: 3-[2-(4-cyclohexylphenyl)propan-2-ylthio]-2-[(3-mercapto-2-methyl-1-oxopropyl)amino]propanoic acid IUPAC Name: 3-[2-(4-cyclohexylphenyl)propan-2-ylsulfanyl]-2-[(2-methyl-3-sulfanylpropanoyl)amino]propanoic acid Traditional Name: 3-[[1-(4-cyclohexylphenyl)-1-methyl-ethyl]thio]-2-[(3-mercapto-2-methyl-propanoyl)amino]propionic acid Formula: C22H33NO3S2 MolecularWeight: 423.63232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)NC(CSC(C)(C)C1=CC=C(C=C1)C2CCCCC2)C(=O)O

Isomeric SMILES

CC(CS)C(=O)NC(CSC(C)(C)C1=CC=C(C=C1)C2CCCCC2)C(=O)O

InChI

InChI=1S/C22H33NO3S2/c1-15(13-27)20(24)23-19(21(25)26)14-28-22(2,3)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h9-12,15-16,19,27H,4-8,13-14H2,1-3H3,(H,23,24)(H,25,26)