Molecule ID: 58319026

IUPAC Name: [(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate

Description: The molecule is an organosulfate oxoanion that is the conjugate base of avibactam, obtained by deprotonation of the sulfo group. It is a conjugate base of an avibactam.

SMILES: N=C([O-])[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O

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

InChI: InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/p-1/t4-,5+/m1/s1

Molecular Properties:
- Polar Surface Area: 141.0 Ų
- LogP: -1.9