Molecule ID: 6995001

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

Description: The molecule is a peptide anion obtained by protonation of the amino group and deprotonation of the two carboxy groups of Ala-Asp. It is a conjugate base of an Ala-Asp.

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-1][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)/p-1/t3-,4-/m0/s1

Molecular Properties:
- Polar Surface Area: 137.0 Ų
- LogP: -2.8