Molecule ID: 71728359

IUPAC Name: (2S)-1-[(2S)-4-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carboxylic acid

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

SMILES: CC(C)[C@H](N)C(O)=N[C@@H](CC(=N)O)C(=O)N1CCC[C@H]1C(=O)O

SELFIES: [C][C][Branch1][C][C][C@H1][Branch1][C][N][C][Branch1][C][O][=N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=N][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C14H24N4O5/c1-7(2)11(16)12(20)17-8(6-10(15)19)13(21)18-5-3-4-9(18)14(22)23/h7-9,11H,3-6,16H2,1-2H3,(H2,15,19)(H,17,20)(H,22,23)/t8-,9-,11-/m0/s1

Molecular Properties:
- Polar Surface Area: 156.0 Ų
- LogP: -4.8