Molecule ID: 121232643

IUPAC Name: 2-amino-10-methylsulfinyldecanoic acid

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

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

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

InChI: InChI=1S/C11H23NO3S/c1-16(15)9-7-5-3-2-4-6-8-10(12)11(13)14/h10H,2-9,12H2,1H3,(H,13,14)

Molecular Properties:
- Polar Surface Area: 99.6 Ų
- LogP: -1.2