Molecule ID: 71464659

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

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

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

SELFIES: [C][C@H1][Branch1][C][N][C][Branch1][C][O][=N][C@@H1][Branch1][C][C][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/C16H26N4O5/c1-9(17)13(21)18-10(2)14(22)19-7-3-5-11(19)15(23)20-8-4-6-12(20)16(24)25/h9-12H,3-8,17H2,1-2H3,(H,18,21)(H,24,25)/t9-,10-,11-,12-/m0/s1

Molecular Properties:
- Polar Surface Area: 133.0 Ų
- LogP: -3.1