Molecule ID: 152416

IUPAC Name: (2S)-3-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoic acid

Description: The molecule is a dipeptide obtained by formal condensation of the carboxy group of pyroglutamic acid with the amino group of valine. It derives from a 5-oxo-L-proline and a L-valine. It is a conjugate base of a pyroglutamylvalinate.

SMILES: CC(C)[C@H](N=C(O)[C@@H]1CCC(O)=N1)C(=O)O

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

InChI: InChI=1S/C10H16N2O4/c1-5(2)8(10(15)16)12-9(14)6-3-4-7(13)11-6/h5-6,8H,3-4H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)/t6-,8-/m0/s1

Molecular Properties:
- Polar Surface Area: 95.5 Ų
- LogP: -0.1