Molecule ID: 9816627

IUPAC Name: (2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoic acid

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

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

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

InChI: InChI=1S/C12H25N3O3/c1-8(2)7-9(14)11(16)15-10(12(17)18)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-/m0/s1

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: -3.0