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Summary Geometry Related PDB entries

FYG

Summary

Name:	(2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
Synonyms:	Avibactam
Formula:	C7 H11 N3 O6 S
Formal charge:	0
Formula weight:	265.244 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
OpenEye OEToolkits	2.0.6	[(2~{S},5~{R})-2-aminocarbonyl-7-oxidanylidene-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(N)(C1CCC2CN1C(N2OS(=O)(O)=O)=O)=O
InChI	InChI	1.03	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)/t4-,5+/m1/s1
InChIKey	InChI	1.03	NDCUAPJVLWFHHB-UHNVWZDZSA-N
SMILES_CANONICAL	CACTVS	3.385	NC(=O)[C@@H]1CC[C@@H]2C[N@]1C(=O)N2O[S](O)(=O)=O
SMILES	CACTVS	3.385	NC(=O)[CH]1CC[CH]2C[N]1C(=O)N2O[S](O)(=O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N
SMILES	OpenEye OEToolkits	2.0.6	C1CC(N2CC1N(C2=O)OS(=O)(=O)O)C(=O)N

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