Molecule ID: 23650514

IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoyl]amino]-3-hydroxypropanoic acid

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

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

InChI: InChI=1S/C12H23N3O5/c1-6(2)4-8(13)11(18)14-7(3)10(17)15-9(5-16)12(19)20/h6-9,16H,4-5,13H2,1-3H3,(H,14,18)(H,15,17)(H,19,20)/t7-,8-,9-/m0/s1

Molecular Properties:
- Polar Surface Area: 142.0 Ų
- LogP: -3.7