Molecule ID: 129656953

IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoic acid

Description: The molecule is a tripeptide composed of L-methionine, L-alanine, and L-methionine joined in sequence by peptide linkages. It derives from a L-alanine and a L-methionine.

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

SELFIES: [C][S][C][C][C@H1][Branch2][Ring1][#Branch1][N][=C][Branch1][C][O][C@H1][Branch1][C][C][N][=C][Branch1][C][O][C@@H1][Branch1][C][N][C][C][S][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C13H25N3O4S2/c1-8(15-12(18)9(14)4-6-21-2)11(17)16-10(13(19)20)5-7-22-3/h8-10H,4-7,14H2,1-3H3,(H,15,18)(H,16,17)(H,19,20)/t8-,9-,10-/m0/s1

Molecular Properties:
- Polar Surface Area: 172.0 Ų
- LogP: -3.4