Molecule ID: 71464621

IUPAC Name: (3S)-3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxobutanoic acid

Description: The molecule is a tripeptide composed of L-leucine, L-aspartic acid and L-serine 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 L-serine.

SMILES: CC(C)C[C@H](N)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CO)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][=Branch1][C][=O][O][C][Branch1][C][O][=N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C13H23N3O7/c1-6(2)3-7(14)11(20)15-8(4-10(18)19)12(21)16-9(5-17)13(22)23/h6-9,17H,3-5,14H2,1-2H3,(H,15,20)(H,16,21)(H,18,19)(H,22,23)/t7-,8-,9-/m0/s1

Molecular Properties:
- Polar Surface Area: 179.0 Ų
- LogP: -4.5