Molecule ID: 71728365

IUPAC Name: 2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]acetic acid

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

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

SELFIES: [C][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][=N][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C14H19N3O4/c1-9(13(20)16-8-12(18)19)17-14(21)11(15)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,15H2,1H3,(H,16,20)(H,17,21)(H,18,19)/t9-,11-/m0/s1

Molecular Properties:
- Polar Surface Area: 122.0 Ų
- LogP: -3.3