Molecule ID: 11902987

IUPAC Name: (2S)-5-amino-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoate

Description: The molecule is a peptide anion that is the conjugate base of pyroglutamylglutamine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate base of a pyroglutamylglutamine.

SMILES: N=C([O-])CC[C@H](N=C(O)[C@@H]1CCC(O)=N1)C(=O)O

SELFIES: [N][=C][Branch1][C][O-1][C][C][C@H1][Branch1][S][N][=C][Branch1][C][O][C@@H1][C][C][C][Branch1][C][O][=N][Ring1][=Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C10H15N3O5/c11-7(14)3-1-6(10(17)18)13-9(16)5-2-4-8(15)12-5/h5-6H,1-4H2,(H2,11,14)(H,12,15)(H,13,16)(H,17,18)/p-1/t5-,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 141.0 Ų
- LogP: -1.5