Molecule ID: 10445608

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

Description: The molecule is a dipeptide composed of L-phenylalanine and L-threonine joined by a peptide linkage. It has a role as a metabolite. It derives from a L-phenylalanine and a L-threonine.

SMILES: C[C@@H](O)[C@H](N=C(O)[C@@H](N)Cc1ccccc1)C(=O)O

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

InChI: InChI=1S/C13H18N2O4/c1-8(16)11(13(18)19)15-12(17)10(14)7-9-5-3-2-4-6-9/h2-6,8,10-11,16H,7,14H2,1H3,(H,15,17)(H,18,19)/t8-,10+,11+/m1/s1

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: -3.0