N-methylmethanamine; 2-(phenylmethylsulfanyl)-2-(3-sulfanylpropanoylamino)propanoic acid

Systemtic Name: N-methylmethanamine; 2-(phenylmethylsulfanyl)-2-(3-sulfanylpropanoylamino)propanoic acid Openeye Name: 2-benzylsulfanyl-2-(3-sulfanylpropanoylamino)propanoic acid; N-methylmethanamine CAS Name: 2-[(3-mercapto-1-oxopropyl)amino]-2-(phenylmethylthio)propanoic acid; N-methylmethanamine IUPAC Name: 2-benzylsulfanyl-2-(3-sulfanylpropanoylamino)propanoic acid; N-methylmethanamine Traditional Name: 2-(benzylthio)-2-(3-mercaptopropanoylamino)propionic acid; dimethylamine Formula: C15H24N2O3S2 MolecularWeight: 344.49266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)(NC(=O)CCS)SCC1=CC=CC=C1.CNC

Isomeric SMILES

CC(C(=O)O)(NC(=O)CCS)SCC1=CC=CC=C1.CNC

InChI

InChI=1S/C13H17NO3S2.C2H7N/c1-13(12(16)17,14-11(15)7-8-18)19-9-10-5-3-2-4-6-10;1-3-2/h2-6,18H,7-9H2,1H3,(H,14,15)(H,16,17);3H,1-2H3