Molecule ID: 36690221

IUPAC Name: (2R)-2-acetamido-3-phenacylsulfanylpropanoic acid

Description: The molecule is the S-phenacyl derivative of N-acetyl-L-cysteine. It is a S-substituted N-acetyl-L-cysteine and an organic sulfide. It derives from an acetophenone.

SMILES: CC(O)=N[C@@H](CSCC(=O)c1ccccc1)C(=O)O

SELFIES: [C][C][Branch1][C][O][=N][C@@H1][Branch1][S][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C13H15NO4S/c1-9(15)14-11(13(17)18)7-19-8-12(16)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,14,15)(H,17,18)/t11-/m0/s1

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: 1.2