Molecule ID: 164607

IUPAC Name: (2R)-2-amino-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoic acid

Description: The molecule is a cysteine thioether that is the S-(4-hydroxy-2-methylbutan-2-yl) derivative of L-cysteine. It is a major component of the urine of the domestic cat. It has a role as a pheromone. It is a L-cysteine thioether and a non-proteinogenic L-alpha-amino acid.

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

SELFIES: [C][C][Branch1][C][C][Branch1][Ring2][C][C][O][S][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H17NO3S/c1-8(2,3-4-10)13-5-6(9)7(11)12/h6,10H,3-5,9H2,1-2H3,(H,11,12)/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: -2.4