Molecule ID: 9839326

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

Description: The molecule is a tripeptide composed of L-alanine, L-aspartic acid, and L-proline units joined in sequernce by peptide linkages. It has a role as a metabolite. It derives from a L-alanine, a L-aspartic acid and a L-proline.

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

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

InChI: InChI=1S/C12H19N3O6/c1-6(13)10(18)14-7(5-9(16)17)11(19)15-4-2-3-8(15)12(20)21/h6-8H,2-5,13H2,1H3,(H,14,18)(H,16,17)(H,20,21)/t6-,7-,8-/m0/s1

Molecular Properties:
- Polar Surface Area: 150.0 Ų
- LogP: -5.1