Molecule ID: 46224583

IUPAC Name: (2R)-2-acetamido-3-(1-ethyl-2,5-dioxopyrrolidin-3-yl)sulfanylpropanoic acid

Description: The molecule is an S-substituted N-acetyl-L-cysteine arising from formal 1,4-addition of the side-chain sulfur atom to N-ethylmaleimide. It is a S-substituted N-acetyl-L-cysteine and an organic sulfide. It derives from a N-ethylsuccinimide.

SMILES: CCN1C(=O)CC(SC[C@H](N=C(C)O)C(=O)O)C1=O

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

InChI: InChI=1S/C11H16N2O5S/c1-3-13-9(15)4-8(10(13)16)19-5-7(11(17)18)12-6(2)14/h7-8H,3-5H2,1-2H3,(H,12,14)(H,17,18)/t7-,8?/m0/s1

Molecular Properties:
- Polar Surface Area: 129.0 Ų
- LogP: -0.8