Molecule ID: 7006474

IUPAC Name: (2S)-2-[[(2S)-2-azaniumylpropanoyl]amino]pentanedioate

Description: The molecule is a peptide anion that is the conjugate base of L-alanyl-L-glutamic acid, arising from deprotonation of the the two carboxy groups and protonation of the amino group; major species at pH 7.3.

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

SELFIES: [C][C@H1][Branch1][C][N][C][Branch1][C][O][=N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H14N2O5/c1-4(9)7(13)10-5(8(14)15)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/p-1/t4-,5-/m0/s1

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