3-[(4-cyclohexylphenyl)methylsulfanyl]-2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]propanoic acid

Systemtic Name: 3-[(4-cyclohexylphenyl)methylsulfanyl]-2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]propanoic acid Openeye Name: 2-[(3-acetylsulfanyl-2-methyl-propanoyl)amino]-3-[(4-cyclohexylphenyl)methylsulfanyl]propanoic acid CAS Name: 2-[[3-(acetylthio)-2-methyl-1-oxopropyl]amino]-3-[(4-cyclohexylphenyl)methylthio]propanoic acid IUPAC Name: 2-[(3-acetylsulfanyl-2-methylpropanoyl)amino]-3-[(4-cyclohexylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[[3-(acetylthio)-2-methyl-propanoyl]amino]-3-[(4-cyclohexylbenzyl)thio]propionic acid Formula: C22H31NO4S2 MolecularWeight: 437.61584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)NC(CSCC1=CC=C(C=C1)C2CCCCC2)C(=O)O

Isomeric SMILES

CC(CSC(=O)C)C(=O)NC(CSCC1=CC=C(C=C1)C2CCCCC2)C(=O)O

InChI

InChI=1S/C22H31NO4S2/c1-15(12-29-16(2)24)21(25)23-20(22(26)27)14-28-13-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h8-11,15,18,20H,3-7,12-14H2,1-2H3,(H,23,25)(H,26,27)