Molecule ID: 86308138

IUPAC Name: (2S)-2-azaniumyl-5-oxo-5-(2-sulfonatoethylamino)pentanoate

Description: The molecule is an organosulfonate oxoanion resulting from the deprotonation of the sulfonic acid moiety of glutaurine zwitterion. The major species at pH 7.3. It has a role as an anticonvulsant, an anxiolytic drug and a hormone. It is a conjugate base of a glutaurine zwitterion.

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

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

InChI: InChI=1S/C7H14N2O6S/c8-5(7(11)12)1-2-6(10)9-3-4-16(13,14)15/h5H,1-4,8H2,(H,9,10)(H,11,12)(H,13,14,15)/p-1/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 162.0 Ų
- LogP: -4.3