Molecule ID: 9793905

IUPAC Name: (2R)-2-amino-3-prop-2-enylsulfanylpropanoic acid

Description: The molecule is an S-hydrocarbyl-L-cysteine that is L-cysteine in which the hydrogen attached to the sulphur is replaced by a prop-2-enyl group. It commonly occurs in garlic and has been found to exhibit antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a tautomer of a S-allylcysteine zwitterion.

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

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

InChI: InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 88.6 Ų
- LogP: -2.1