Molecule ID: 124202346

IUPAC Name: (2S,3R)-2-[[(2S)-2-acetamido-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoic acid

Description: The molecule is a dipeptide obtained by formal condensation of the carboxy group of N-acetyl-L-methionine with the amino group of L-threonine. It is an acetamide and a dipeptide.

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

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

InChI: InChI=1S/C11H20N2O5S/c1-6(14)9(11(17)18)13-10(16)8(4-5-19-3)12-7(2)15/h6,8-9,14H,4-5H2,1-3H3,(H,12,15)(H,13,16)(H,17,18)/t6-,8+,9+/m1/s1

Molecular Properties:
- Polar Surface Area: 141.0 Ų
- LogP: -0.7