About (2S,5R)-6-hydroxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;iodomethane;methane;bis([(2S,5R)-2-[5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);(2S,5R)-7-oxo-N-(2-oxo-2-pyridin-4-ylethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;[(2S,5R)-7-oxo-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;pyridine-4-carboxylic acid;tetrabutylazanium
(2S,5R)-6-hydroxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;iodomethane;methane;bis([(2S,5R)-2-[5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);(2S,5R)-7-oxo-N-(2-oxo-2-pyridin-4-ylethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;[(2S,5R)-7-oxo-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;pyridine-4-carboxylic acid;tetrabutylazanium (PubChem CID 159551291) has the molecular formula C135H172IN35O33S3+2
and a molecular weight of 3036.18 g/mol. Its IUPAC name is (2S,5R)-6-hydroxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;iodomethane;methane;bis([(2S,5R)-2-[5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);(2S,5R)-7-oxo-N-(2-oxo-2-pyridin-4-ylethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;[(2S,5R)-7-oxo-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;pyridine-4-carboxylic acid;tetrabutylazanium.
Frequently Asked Questions
What is the IUPAC name of (2S,5R)-6-hydroxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;iodomethane;methane;bis([(2S,5R)-2-[5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);(2S,5R)-7-oxo-N-(2-oxo-2-pyridin-4-ylethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;[(2S,5R)-7-oxo-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;pyridine-4-carboxylic acid;tetrabutylazanium?
The IUPAC name of (2S,5R)-6-hydroxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;iodomethane;methane;bis([(2S,5R)-2-[5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);(2S,5R)-7-oxo-N-(2-oxo-2-pyridin-4-ylethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;[(2S,5R)-7-oxo-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;pyridine-4-carboxylic acid;tetrabutylazanium (CID 159551291) is (2S,5R)-6-hydroxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;iodomethane;methane;bis([(2S,5R)-2-[5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);(2S,5R)-7-oxo-N-(2-oxo-2-pyridin-4-ylethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;[(2S,5R)-7-oxo-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;pyridine-4-carboxylic acid;tetrabutylazanium.
What is the SMILES notation for (2S,5R)-6-hydroxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;iodomethane;methane;bis([(2S,5R)-2-[5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);(2S,5R)-7-oxo-N-(2-oxo-2-pyridin-4-ylethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;[(2S,5R)-7-oxo-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;pyridine-4-carboxylic acid;tetrabutylazanium?
The canonical SMILES for (2S,5R)-6-hydroxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;iodomethane;methane;bis([(2S,5R)-2-[5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);(2S,5R)-7-oxo-N-(2-oxo-2-pyridin-4-ylethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;[(2S,5R)-7-oxo-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;pyridine-4-carboxylic acid;tetrabutylazanium is C.C.C.CCCC[N+](CCCC)(CCCC)CCCC.CI.C[n+]1ccc(-c2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4OS(=O)(=O)O)o2)cc1.C[n+]1ccc(-c2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4OS(=O)(=O)O)o2)cc1.NNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1.O=C(CNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1)c1ccncc1.O=C(O)c1ccncc1.O=C1N(O)[C@@H]2CC[C@@H](c3nnc(-c4ccncc4)o3)N1C2.O=C1N2C[C@@H](CC[C@H]2c2nnc(-c3ccncc3)o2)N1OCc1ccccc1.O=C1N2C[C@@H](CC[C@H]2c2nnc(-c3ccncc3)o2)N1OS(=O)(=O)[O-].
What is the InChIKey of (2S,5R)-6-hydroxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;iodomethane;methane;bis([(2S,5R)-2-[5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);(2S,5R)-7-oxo-N-(2-oxo-2-pyridin-4-ylethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;[(2S,5R)-7-oxo-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;pyridine-4-carboxylic acid;tetrabutylazanium?
The InChIKey is VPKOXJPFRSZZNA-STAUWONXSA-O. The full InChI is InChI=1S/C21H22N4O4.C20H19N5O3.C16H36N.2C14H15N5O6S.C14H18N4O3.C13H13N5O6S.C13H13N5O3.C6H5NO2.CH3I.3CH4/c26-19(16-8-10-22-11-9-16)12-23-20(27)18-7-6-17-13-24(18)21(28)25(17)29-14-15-4-2-1-3-5-15;26-20-24-12-16(25(20)27-13-14-4-2-1-3-5-14)6-7-17(24)19-23-22-18(28-19)15-8-10-21-11-9-15;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*1-17-6-4-9(5-7-17)12-15-16-13(24-12)11-3-2-10-8-18(11)14(20)19(10)25-26(21,22)23;15-16-13(19)12-7-6-11-8-17(12)14(20)18(11)21-9-10-4-2-1-3-5-10;19-13-17-7-9(18(13)24-25(20,21)22)1-2-10(17)12-16-15-11(23-12)8-3-5-14-6-4-8;19-13-17-7-9(18(13)20)1-2-10(17)12-16-15-11(21-12)8-3-5-14-6-4-8;8-6(9)5-1-3-7-4-2-5;1-2;;;/h1-5,8-11,17-18H,6-7,12-14H2,(H,23,27);1-5,8-11,16-17H,6-7,12-13H2;5-16H2,1-4H3;2*4-7,10-11H,2-3,8H2,1H3;1-5,11-12H,6-9,15H2,(H,16,19);3-6,9-10H,1-2,7H2,(H,20,21,22);3-6,9-10,20H,1-2,7H2;1-4H,(H,8,9);1H3;3*1H4/q;;+1;;;;;;;;;;/p+1/t17-,18+;16-,17+;;2*10-,11+;11-,12+;2*9-,10+;;;;;/m11.11111...../s1.
What are the key properties of (2S,5R)-6-hydroxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;iodomethane;methane;bis([(2S,5R)-2-[5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);(2S,5R)-7-oxo-N-(2-oxo-2-pyridin-4-ylethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;[(2S,5R)-7-oxo-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;pyridine-4-carboxylic acid;tetrabutylazanium?
(2S,5R)-6-hydroxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;iodomethane;methane;bis([(2S,5R)-2-[5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);(2S,5R)-7-oxo-N-(2-oxo-2-pyridin-4-ylethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;[(2S,5R)-7-oxo-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;pyridine-4-carboxylic acid;tetrabutylazanium has a molecular weight of 3036.18 g/mol, XLogP of 16.50, 43 rotatable bonds, 7 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-6-hydroxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;iodomethane;methane;bis([(2S,5R)-2-[5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);(2S,5R)-7-oxo-N-(2-oxo-2-pyridin-4-ylethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;[(2S,5R)-7-oxo-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one;pyridine-4-carboxylic acid;tetrabutylazanium is sourced from PubChem (CID 159551291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).