Molecule ID: 25200435

IUPAC Name: (2R)-2-azaniumyl-3-(3-methylbut-2-enylsulfanyl)propanoate

Description: The molecule is an L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of S-prenyl-L-cysteine; major species at pH 7.3. It is a L-alpha-amino acid zwitterion and a S-polyprenyl-L-cysteine zwitterion. It is a tautomer of a S-prenyl-L-cysteine.

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

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

InChI: InChI=1S/C8H15NO2S/c1-6(2)3-4-12-5-7(9)8(10)11/h3,7H,4-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 93.1 Ų
- LogP: -0.6