Molecule ID: 1549441

IUPAC Name: (2S)-4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid

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

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

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

InChI: InChI=1S/C7H13N3O4/c1-3(8)6(12)10-4(7(13)14)2-5(9)11/h3-4H,2,8H2,1H3,(H2,9,11)(H,10,12)(H,13,14)/t3-,4-/m0/s1

Molecular Properties:
- Polar Surface Area: 136.0 Ų
- LogP: -4.8