Molecule ID: 6992012

IUPAC Name: (2S)-6-azaniumyl-2-(3-azaniumylpropanoylamino)hexanoate

Description: The molecule is a peptide cation that is the conjugate acid of beta-alanyl-L-lysine zwitterion, arising from the protonation of one of the amino groups. Major species at pH 7.3. It is a conjugate acid of a beta-alanyl-L-lysine zwitterion.

SMILES: NCCC(O)=N[C@@H](CCCC[NH3+])C(=O)O

SELFIES: [N][C][C][C][Branch1][C][O][=N][C@@H1][Branch1][=Branch1][C][C][C][C][NH3+1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C9H19N3O3/c10-5-2-1-3-7(9(14)15)12-8(13)4-6-11/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/p+1/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 125.0 Ų
- LogP: -4.8