Molecule ID: 7059430

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

Description: The molecule is conjugate base of L-gamma-glutamyl-L-cysteine arising from deprotonation of both carboxy groups and protonation of the primary amino group; major species at pH 7.3. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of a L-gamma-glutamyl-L-cysteine.

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

SELFIES: [N][C@@H1][Branch2][Ring1][C][C][C][C][Branch1][C][O-1][=N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/p-1/t4-,5-/m0/s1

Molecular Properties:
- Polar Surface Area: 138.0 Ų
- LogP: -2.5