Molecule ID: 71464673

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

Description: The molecule is a tetrapeptide composed of L-aspartic acid, 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-aspartic acid, a L-valine and a L-proline.

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

SELFIES: [C][C][Branch1][C][C][C@H1][Branch1][S][N][=C][Branch1][C][O][C@@H1][Branch1][C][N][C][C][=Branch1][C][=O][O][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/C19H30N4O7/c1-10(2)15(21-16(26)11(20)9-14(24)25)18(28)22-7-3-5-12(22)17(27)23-8-4-6-13(23)19(29)30/h10-13,15H,3-9,20H2,1-2H3,(H,21,26)(H,24,25)(H,29,30)/t11-,12-,13-,15-/m0/s1

Molecular Properties:
- Polar Surface Area: 170.0 Ų
- LogP: -3.1