Molecule ID: 71464620

IUPAC Name: (3S)-3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-(carboxymethylamino)-4-oxobutanoic acid

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

SMILES: CC(C)C[C@H](N)C(O)=N[C@@H](CC(=O)O)C(O)=NCC(=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][=Branch1][C][=O][O][C][Branch1][C][O][=N][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C12H21N3O6/c1-6(2)3-7(13)11(20)15-8(4-9(16)17)12(21)14-5-10(18)19/h6-8H,3-5,13H2,1-2H3,(H,14,21)(H,15,20)(H,16,17)(H,18,19)/t7-,8-/m0/s1

Molecular Properties:
- Polar Surface Area: 159.0 Ų
- LogP: -3.5