Molecule ID: 134160263

IUPAC Name: (2R)-2-amino-3-[N-hydroxy-C-(8-methylsulfanyloctyl)carbonimidoyl]sulfanylpropanoic acid

Description: The molecule is an S-substituted L-cysteine in which the thiol hydrogen of L-cysteine has been replaced by a 9-(methylthio)nonylhydroximoyl group. It has a role as an Arabidopsis thaliana metabolite. It is a N-hydroxyimidothioate, a S-substituted L-cysteine and a methyl sulfide.

SMILES: CSCCCCCCCCC(=NO)SC[C@H](N)C(=O)O

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

InChI: InChI=1S/C13H26N2O3S2/c1-19-9-7-5-3-2-4-6-8-12(15-18)20-10-11(14)13(16)17/h11,18H,2-10,14H2,1H3,(H,16,17)/t11-/m0/s1

Molecular Properties:
- Polar Surface Area: 147.0 Ų
- LogP: 0.6