Molecule ID: 25674

IUPAC Name: (2S)-2-amino-4-ethylsulfanylbutanoic acid

Description: The molecule is an S-ethylhomocysteine that has S-configuration at the chiral centre. It has a role as an antimetabolite and a carcinogenic agent. It is an enantiomer of a D-ethionine.

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

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

InChI: InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 88.6 Ų
- LogP: -1.5