Molecule ID: 81721

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

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

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

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

InChI: InChI=1S/C9H18N2O3/c1-5(2)4-7(10)8(12)11-6(3)9(13)14/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)/t6-,7-/m0/s1

Molecular Properties:
- Polar Surface Area: 92.4 Ų
- LogP: -2.8