Molecule ID: 7015682

IUPAC Name: (2S)-2-azaniumyl-5-[[(1S)-1-carboxylato-2-methylpropyl]amino]-5-oxopentanoate

Description: The molecule is a peptide anion that is the conjugate base of gamma-Glu-Val, obtained by removal of protons from the two carboxy groups as well as protonation of the amino group; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate base of a gamma-Glu-Val.

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

SELFIES: [C][C][Branch1][C][C][C@H1][Branch1][P][N][=C][Branch1][C][O-1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C10H18N2O5/c1-5(2)8(10(16)17)12-7(13)4-3-6(11)9(14)15/h5-6,8H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/p-1/t6-,8-/m0/s1

Molecular Properties:
- Polar Surface Area: 137.0 Ų
- LogP: -1.5