Molecule ID: 99719

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

Description: The molecule is a dipeptide formed from L-alanyl and L-aspartic acid residues. It has a role as a metabolite. It is a conjugate acid of an Ala-Asp(1-).

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

SELFIES: [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/C7H12N2O5/c1-3(8)6(12)9-4(7(13)14)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t3-,4-/m0/s1

Molecular Properties:
- Polar Surface Area: 130.0 Ų
- LogP: -4.1