3-[(4-methoxyphenyl)methylsulfanyl]-2-(2-methylpropanoylamino)-3-sulfanyl-propanoic acid

Systemtic Name: 3-[(4-methoxyphenyl)methylsulfanyl]-2-(2-methylpropanoylamino)-3-sulfanyl-propanoic acid Openeye Name: 3-[(4-methoxyphenyl)methylsulfanyl]-2-(2-methylpropanoylamino)-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-3-[(4-methoxyphenyl)methylthio]-2-[(2-methyl-1-oxopropyl)amino]propanoic acid IUPAC Name: 3-[(4-methoxyphenyl)methylsulfanyl]-2-(2-methylpropanoylamino)-3-sulfanylpropanoic acid Traditional Name: 2-(isobutyrylamino)-3-mercapto-3-(p-anisylthio)propionic acid Formula: C15H21NO4S2 MolecularWeight: 343.46154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(C(S)SCC1=CC=C(C=C1)OC)C(=O)O

Isomeric SMILES

CC(C)C(=O)NC(C(S)SCC1=CC=C(C=C1)OC)C(=O)O

InChI

InChI=1S/C15H21NO4S2/c1-9(2)13(17)16-12(14(18)19)15(21)22-8-10-4-6-11(20-3)7-5-10/h4-7,9,12,15,21H,8H2,1-3H3,(H,16,17)(H,18,19)