Molecule ID: 86289937

IUPAC Name: (2S)-2-(dimethylazaniumyl)-3-(3-methyl-5-sulfanylimidazol-4-yl)propanoate

Description: The molecule is an L-alpha-amino acid zwitterion formed from ovothiol C by transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It derives from a L-histidine zwitterion. It is a tautomer of an ovothiol C.

SMILES: CN(C)[C@@H](Cc1c(S)ncn1C)C(=O)O

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

InChI: InChI=1S/C9H15N3O2S/c1-11(2)7(9(13)14)4-6-8(15)10-5-12(6)3/h5,7,15H,4H2,1-3H3,(H,13,14)/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 63.4 Ų
- LogP: -1.2