Molecule ID: 71728351

IUPAC Name: (2S)-1-[2-[[(2S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid

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

SMILES: CC(C)[C@H](N=C(O)[C@@H]1CCCN1)C(O)=NCC(=O)N1CCC[C@H]1C(=O)O

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

InChI: InChI=1S/C17H28N4O5/c1-10(2)14(20-15(23)11-5-3-7-18-11)16(24)19-9-13(22)21-8-4-6-12(21)17(25)26/h10-12,14,18H,3-9H2,1-2H3,(H,19,24)(H,20,23)(H,25,26)/t11-,12-,14-/m0/s1

Molecular Properties:
- Polar Surface Area: 128.0 Ų
- LogP: -2.3