Molecule ID: 71464648

IUPAC Name: 2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetic acid

Description: The molecule is a tripeptide composed of L-leucine, L-valine and glycine joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-leucine, a L-valine and a glycine.

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

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

InChI: InChI=1S/C13H25N3O4/c1-7(2)5-9(14)12(19)16-11(8(3)4)13(20)15-6-10(17)18/h7-9,11H,5-6,14H2,1-4H3,(H,15,20)(H,16,19)(H,17,18)/t9-,11-/m0/s1

Molecular Properties:
- Polar Surface Area: 122.0 Ų
- LogP: -2.7