Molecule ID: 71728352

IUPAC Name: (2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]propanoic acid

Description: The molecule is a tripeptide composed of L-threonine and two L-alanine units joined by peptide linkages. It has a role as a metabolite. It derives from a L-threonine and a L-alanine.

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

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

InChI: InChI=1S/C10H19N3O5/c1-4(8(15)13-5(2)10(17)18)12-9(16)7(11)6(3)14/h4-7,14H,11H2,1-3H3,(H,12,16)(H,13,15)(H,17,18)/t4-,5-,6+,7-/m0/s1

Molecular Properties:
- Polar Surface Area: 142.0 Ų
- LogP: -4.3