Molecule ID: 25200557

IUPAC Name: (2S)-2-azaniumyl-5-[[(1R)-1-carboxylatoethyl]amino]-5-oxopentanoate

Description: The molecule is the conjugate base of L-gamma-glutamyl-D-alanine arising from deprotonation of both carboxy groups and protonation of the glutamyl amino group; major species at pH 7.3. It is a conjugate base of a L-gamma-glutamyl-D-alanine.

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

SELFIES: [C][C@@H1][Branch1][P][N][=C][Branch1][C][O-1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H14N2O5/c1-4(7(12)13)10-6(11)3-2-5(9)8(14)15/h4-5H,2-3,9H2,1H3,(H,10,11)(H,12,13)(H,14,15)/p-1/t4-,5+/m1/s1

Molecular Properties:
- Polar Surface Area: 137.0 Ų
- LogP: -2.5