Molecule ID: 9576089

IUPAC Name: (2R)-2-amino-3-[(S)-prop-2-enylsulfinyl]propanoic acid

Description: The molecule is an L-alanine derivative in which one of the methyl hydrogens of L-alanine has been replaced by an (S)-allylsulfinyl group. It has a role as a plant metabolite, an antioxidant, a cardioprotective agent, a neuroprotective agent and an antimicrobial agent. It is a non-proteinogenic alpha-amino acid, a L-cysteine derivative, a L-alanine derivative, a sulfoxide and an olefinic compound. It is a tautomer of an alliin zwitterion.

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: 99.6 Ų
- LogP: -3.5