Molecule ID: 10133081

IUPAC Name: (2S)-1-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

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

SMILES: N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O

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

InChI: InChI=1S/C19H25N3O4/c20-14(12-13-6-2-1-3-7-13)17(23)21-10-4-8-15(21)18(24)22-11-5-9-16(22)19(25)26/h1-3,6-7,14-16H,4-5,8-12,20H2,(H,25,26)/t14-,15-,16-/m0/s1

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: -1.3