Molecule ID: 71464680

IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid

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

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

SELFIES: [C][C][Branch1][C][C][C][C@H1][Branch2][Ring1][#C][N][=C][Branch1][C][O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][=C][Branch1][C][O][C@@H1][Branch1][C][N][C][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/C22H39N5O6/c1-12(2)10-15(25-19(29)14(23)7-8-18(24)28)20(30)26-16(11-13(3)4)21(31)27-9-5-6-17(27)22(32)33/h12-17H,5-11,23H2,1-4H3,(H2,24,28)(H,25,29)(H,26,30)(H,32,33)/t14-,15-,16-,17-/m0/s1

Molecular Properties:
- Polar Surface Area: 185.0 Ų
- LogP: -3.7