Molecule ID: 68134

IUPAC Name: (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]sulfanylmethylsulfanyl]propanoic acid

Description: The molecule is a dithioacetal consisting of two molecules of L-cysteine joined via their sulfanyl groups to methylene. It has a role as a plant metabolite and a toxin. It is a dithioacetal, a L-cysteine derivative and a non-proteinogenic L-alpha-amino acid.

SMILES: N[C@@H](CSCSC[C@H](N)C(=O)O)C(=O)O

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

InChI: InChI=1S/C7H14N2O4S2/c8-4(6(10)11)1-14-3-15-2-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1

Molecular Properties:
- Polar Surface Area: 177.0 Ų
- LogP: -5.6