Molecule ID: 40561906

IUPAC Name: (2S)-4-methylsulfanyl-2-(propanoylamino)butanoate

Description: The molecule is an N-(fatty acyl)-L-alpha-amino acid anion that is the conjugate base of N-propanoyl-L-methionine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a N-(fatty acyl)-L-alpha-amino acid anion and a N-(fatty acyl)-L-methionine(1-). It is a conjugate base of a N-propanoyl-L-methionine.

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

SELFIES: [C][C][C][Branch1][C][O-1][=N][C@@H1][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H15NO3S/c1-3-7(10)9-6(8(11)12)4-5-13-2/h6H,3-5H2,1-2H3,(H,9,10)(H,11,12)/p-1/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 94.5 Ų
- LogP: 1.2