Molecule ID: 71464605

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

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

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

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

InChI: InChI=1S/C18H30N4O5/c1-10(2)14(20-15(23)11(3)19)17(25)21-8-4-6-12(21)16(24)22-9-5-7-13(22)18(26)27/h10-14H,4-9,19H2,1-3H3,(H,20,23)(H,26,27)/t11-,12-,13-,14-/m0/s1

Molecular Properties:
- Polar Surface Area: 133.0 Ų
- LogP: -2.2