(2R)-2-azanyl-3-(2-phenylethylcarbamothioylsulfanyl)propanoic acid

Systemtic Name: (2R)-2-azanyl-3-(2-phenylethylcarbamothioylsulfanyl)propanoic acid Openeye Name: (2R)-2-amino-3-(2-phenylethylcarbamothioylsulfanyl)propanoic acid CAS Name: (2R)-2-amino-3-[[(2-phenylethylamino)-sulfanylidenemethyl]thio]propanoic acid IUPAC Name: (2R)-2-amino-3-(2-phenylethylcarbamothioylsulfanyl)propanoic acid Traditional Name: (2R)-2-amino-3-(2-phenylethylthiocarbamoylthio)propionic acid Formula: C12H16N2O2S2 MolecularWeight: 286.390182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)SCC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C[14CH2]NC(=S)SC[C@@H](C(=O)O)N

InChI

InChI=1S/C12H16N2O2S2/c13-10(11(15)16)8-18-12(17)14-7-6-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,17)(H,15,16)/t10-/m0/s1/i7+2