Molecule ID: 99716

IUPAC Name: (2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]butanedioic acid

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

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

SELFIES: [N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][Branch1][C][O][=N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C9H14N2O7/c10-4(1-2-6(12)13)8(16)11-5(9(17)18)3-7(14)15/h4-5H,1-3,10H2,(H,11,16)(H,12,13)(H,14,15)(H,17,18)/t4-,5-/m0/s1

Molecular Properties:
- Polar Surface Area: 167.0 Ų
- LogP: -4.6