Molecule ID: 42641527

IUPAC Name: (2S)-1-[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carboxylic acid

Description: The molecule is a tripeptide consisting of L-leucyl, L-glutaminyl and L-proline residues joined in sequence. It has a role as a metabolite.

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

SELFIES: [C][C][Branch1][C][C][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/C16H28N4O5/c1-9(2)8-10(17)14(22)19-11(5-6-13(18)21)15(23)20-7-3-4-12(20)16(24)25/h9-12H,3-8,17H2,1-2H3,(H2,18,21)(H,19,22)(H,24,25)/t10-,11-,12-/m0/s1

Molecular Properties:
- Polar Surface Area: 156.0 Ų
- LogP: -4.1