nacubactam   Click here for help

GtoPdb Ligand ID: 10833

Synonyms: OP-0595 | OP0595 | RG-6080 | RG6080 | RO-7079901 | RO7079901
Compound class: Synthetic organic
Comment: Nacubactam is a β-lactamase inhibitor [1], intended for use alongside β-lactamase-sensitive antibiotics [2-3].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 159.88
Molecular weight 324.07
XLogP -3.31
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCCONC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O
Isomeric SMILES NCCONC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O
InChI InChI=1S/C9H16N4O7S/c10-3-4-19-11-8(14)7-2-1-6-5-12(7)9(15)13(6)20-21(16,17)18/h6-7H,1-5,10H2,(H,11,14)(H,16,17,18)/t6-,7+/m1/s1
InChI Key RSBPYSTVZQAADE-RQJHMYQMSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
[(2S,5R)-2-(2-aminoethoxycarbamoyl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
International Nonproprietary Names Click here for help
INN number INN
10300 nacubactam
Synonyms Click here for help
OP-0595 | OP0595 | RG-6080 | RG6080 | RO-7079901 | RO7079901
Database Links Click here for help
CAS Registry No. 1452458-86-4 (source: WHO INN record)
ChEMBL Ligand CHEMBL3989959
DrugBank Ligand DB15353
GtoPdb PubChem SID 405560274
PubChem CID 73386748
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