2-[(4-dimethylaminophenyl)methylsulfanyl]-2-[(2-methyl-3-sulfanyl-propanoyl)amino]propanoic acid

Systemtic Name: 2-[(4-dimethylaminophenyl)methylsulfanyl]-2-[(2-methyl-3-sulfanyl-propanoyl)amino]propanoic acid Openeye Name: 2-[(4-dimethylaminophenyl)methylsulfanyl]-2-[(2-methyl-3-sulfanyl-propanoyl)amino]propanoic acid CAS Name: 2-[(4-dimethylaminophenyl)methylthio]-2-[(3-mercapto-2-methyl-1-oxopropyl)amino]propanoic acid IUPAC Name: 2-[(4-dimethylaminophenyl)methylsulfanyl]-2-[(2-methyl-3-sulfanylpropanoyl)amino]propanoic acid Traditional Name: 2-[[4-(dimethylamino)benzyl]thio]-2-[(3-mercapto-2-methyl-propanoyl)amino]propionic acid Formula: C16H24N2O3S2 MolecularWeight: 356.50336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)NC(C)(C(=O)O)SCC1=CC=C(C=C1)N(C)C

Isomeric SMILES

CC(CS)C(=O)NC(C)(C(=O)O)SCC1=CC=C(C=C1)N(C)C

InChI

InChI=1S/C16H24N2O3S2/c1-11(9-22)14(19)17-16(2,15(20)21)23-10-12-5-7-13(8-6-12)18(3)4/h5-8,11,22H,9-10H2,1-4H3,(H,17,19)(H,20,21)