Molecule ID: 446922

IUPAC Name: (2S)-5-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-5-oxopentanoic acid

Description: The molecule is a dipeptide composed of L-asparagine and L-glutamine joined by a peptide linkage. It has a role as a metabolite. It derives from a L-asparagine and a L-glutamine.

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

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

InChI: InChI=1S/C9H16N4O5/c10-4(3-7(12)15)8(16)13-5(9(17)18)1-2-6(11)14/h4-5H,1-3,10H2,(H2,11,14)(H2,12,15)(H,13,16)(H,17,18)/t4-,5-/m0/s1

Molecular Properties:
- Polar Surface Area: 179.0 Ų
- LogP: -5.9