Molecule ID: 121232642

IUPAC Name: 2-amino-9-methylsulfinylnonanoic acid

Description: The molecule is a sulfur-containing amino acid that is the sulfoxide obtained by formal oxygenation of the sulfur atom of pentahomomethionine. It has a role as a plant metabolite. It is a non-proteinogenic alpha-amino acid, a sulfur-containing amino acid and a sulfoxide. It derives from a pentahomomethionine.

SMILES: CS(=O)CCCCCCCC(N)C(=O)O

SELFIES: [C][S][=Branch1][C][=O][C][C][C][C][C][C][C][C][Branch1][C][N][C][=Branch1][C][=O][O]

InChI: InChI=1S/C10H21NO3S/c1-15(14)8-6-4-2-3-5-7-9(11)10(12)13/h9H,2-8,11H2,1H3,(H,12,13)

Molecular Properties:
- Polar Surface Area: 99.6 Ų
- LogP: -1.7