Molecule ID: 22266650

IUPAC Name: 2-amino-7-methylsulfanylheptanoic acid

Description: The molecule is a sulfur-containing amino acid consisting of 2-aminoheptanoic acid having a methylthio substituent at the 7-position. It is a sulfur-containing amino acid, a non-proteinogenic alpha-amino acid and a methyl sulfide. It is a tautomer of a trihomomethionine zwitterion.

SMILES: CSCCCCCC(N)C(=O)O

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

InChI: InChI=1S/C8H17NO2S/c1-12-6-4-2-3-5-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)

Molecular Properties:
- Polar Surface Area: 88.6 Ų
- LogP: -1.1