Molecule ID: 51380903

IUPAC Name: (2R)-2-azaniumyl-3-[(S)-prop-2-enylsulfinyl]propanoate

Description: The molecule is an L-alpha-amino acid zwitterion that is allin in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3. It has a role as an antimicrobial agent, an antioxidant, a cardioprotective agent, a neuroprotective agent and a plant metabolite. It is a tautomer of an alliin.

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

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

InChI: InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11-/m0/s1

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: -2.9