Molecule ID: 14889704

IUPAC Name: (2S)-1-[(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carboxylic acid

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

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

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

InChI: InChI=1S/C13H22N4O5/c1-7(14)11(19)16-8(4-5-10(15)18)12(20)17-6-2-3-9(17)13(21)22/h7-9H,2-6,14H2,1H3,(H2,15,18)(H,16,19)(H,21,22)/t7-,8-,9-/m0/s1

Molecular Properties:
- Polar Surface Area: 156.0 Ų
- LogP: -5.4