Molecule ID: 7098648

IUPAC Name: (2S)-2-azaniumyl-5-[[(2R)-1-(2-carboxylatoethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoate

Description: The molecule is the conjugate base of L-gamma-glutamyl-L-cysteinyl-beta-alanine having an anionic carboxy terminus and a zwitterionic gamma-glutamyl residue; major species at pH 7.3. It is a conjugate base of a L-gamma-glutamyl-L-cysteinyl-beta-alanine.

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

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

InChI: InChI=1S/C11H19N3O6S/c12-6(11(19)20)1-2-8(15)14-7(5-21)10(18)13-4-3-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/p-1/t6-,7-/m0/s1

Molecular Properties:
- Polar Surface Area: 167.0 Ų
- LogP: -3.3