Molecule ID: 9858135

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

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

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

InChI: InChI=1S/C14H27N3O5/c1-7(2)5-9(15)12(19)17-11(8(3)4)13(20)16-10(6-18)14(21)22/h7-11,18H,5-6,15H2,1-4H3,(H,16,20)(H,17,19)(H,21,22)/t9-,10-,11-/m0/s1

Molecular Properties:
- Polar Surface Area: 142.0 Ų
- LogP: -4.1