Molecule ID: 44608779

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

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

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

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

InChI: InChI=1S/C10H19N3O6/c1-4(12-9(17)7(11)5(2)15)8(16)13-6(3-14)10(18)19/h4-7,14-15H,3,11H2,1-2H3,(H,12,17)(H,13,16)(H,18,19)/t4-,5+,6-,7-/m0/s1

Molecular Properties:
- Polar Surface Area: 162.0 Ų
- LogP: -5.2