Molecule ID: 25145403

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

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

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

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

InChI: InChI=1S/C8H13N3O6/c9-3(1-5(10)12)7(15)11-4(8(16)17)2-6(13)14/h3-4H,1-2,9H2,(H2,10,12)(H,11,15)(H,13,14)(H,16,17)/t3-,4-/m0/s1

Molecular Properties:
- Polar Surface Area: 173.0 Ų
- LogP: -5.6