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

Systemtic Name: 3-[(4-ethoxyphenyl)methylsulfanyl]-2-(2-methylpropanoylamino)-3-(phenylcarbonylsulfanyl)propanoic acid Openeye Name: 3-benzoylsulfanyl-3-[(4-ethoxyphenyl)methylsulfanyl]-2-(2-methylpropanoylamino)propanoic acid CAS Name: 3-(benzoylthio)-3-[(4-ethoxyphenyl)methylthio]-2-[(2-methyl-1-oxopropyl)amino]propanoic acid IUPAC Name: 3-benzoylsulfanyl-3-[(4-ethoxyphenyl)methylsulfanyl]-2-(2-methylpropanoylamino)propanoic acid Traditional Name: 3-(benzoylthio)-3-[(4-ethoxybenzyl)thio]-2-(isobutyrylamino)propionic acid Formula: C23H27NO5S2 MolecularWeight: 461.59418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CSC(C(C(=O)O)NC(=O)C(C)C)SC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)CSC(C(C(=O)O)NC(=O)C(C)C)SC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H27NO5S2/c1-4-29-18-12-10-16(11-13-18)14-30-23(19(21(26)27)24-20(25)15(2)3)31-22(28)17-8-6-5-7-9-17/h5-13,15,19,23H,4,14H2,1-3H3,(H,24,25)(H,26,27)