About tert-butyl 4-[2-[5-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[3-oxo-4-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]butyl]piperazine-1-carboxylate;tert-butyl 4-[2-[5-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]piperazine-1-carboxylate;methane;[(2S,5R)-2-[5-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;bis([(2S,5R)-7-oxo-2-[5-(2-piperazin-1-ylethyl)-1,3,4-oxadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);tetrabutylazanium
tert-butyl 4-[2-[5-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[3-oxo-4-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]butyl]piperazine-1-carboxylate;tert-butyl 4-[2-[5-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]piperazine-1-carboxylate;methane;[(2S,5R)-2-[5-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;bis([(2S,5R)-7-oxo-2-[5-(2-piperazin-1-ylethyl)-1,3,4-oxadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);tetrabutylazanium (PubChem CID 162204575) has the molecular formula C163H262N42O43S3
and a molecular weight of 3594.34 g/mol. Its IUPAC name is tert-butyl 4-[2-[5-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[3-oxo-4-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]butyl]piperazine-1-carboxylate;tert-butyl 4-[2-[5-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]piperazine-1-carboxylate;methane;[(2S,5R)-2-[5-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;bis([(2S,5R)-7-oxo-2-[5-(2-piperazin-1-ylethyl)-1,3,4-oxadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);tetrabutylazanium.
Frequently Asked Questions
What is the IUPAC name of tert-butyl 4-[2-[5-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[3-oxo-4-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]butyl]piperazine-1-carboxylate;tert-butyl 4-[2-[5-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]piperazine-1-carboxylate;methane;[(2S,5R)-2-[5-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;bis([(2S,5R)-7-oxo-2-[5-(2-piperazin-1-ylethyl)-1,3,4-oxadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);tetrabutylazanium?
The IUPAC name of tert-butyl 4-[2-[5-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[3-oxo-4-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]butyl]piperazine-1-carboxylate;tert-butyl 4-[2-[5-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]piperazine-1-carboxylate;methane;[(2S,5R)-2-[5-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;bis([(2S,5R)-7-oxo-2-[5-(2-piperazin-1-ylethyl)-1,3,4-oxadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);tetrabutylazanium (CID 162204575) is tert-butyl 4-[2-[5-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[3-oxo-4-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]butyl]piperazine-1-carboxylate;tert-butyl 4-[2-[5-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]piperazine-1-carboxylate;methane;[(2S,5R)-2-[5-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;bis([(2S,5R)-7-oxo-2-[5-(2-piperazin-1-ylethyl)-1,3,4-oxadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);tetrabutylazanium.
What is the SMILES notation for tert-butyl 4-[2-[5-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[3-oxo-4-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]butyl]piperazine-1-carboxylate;tert-butyl 4-[2-[5-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]piperazine-1-carboxylate;methane;[(2S,5R)-2-[5-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;bis([(2S,5R)-7-oxo-2-[5-(2-piperazin-1-ylethyl)-1,3,4-oxadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);tetrabutylazanium?
The canonical SMILES for tert-butyl 4-[2-[5-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[3-oxo-4-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]butyl]piperazine-1-carboxylate;tert-butyl 4-[2-[5-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]piperazine-1-carboxylate;methane;[(2S,5R)-2-[5-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;bis([(2S,5R)-7-oxo-2-[5-(2-piperazin-1-ylethyl)-1,3,4-oxadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);tetrabutylazanium is C.C.CC(C)(C)OC(=O)N1CCN(CCC(=O)CNC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OCc2ccccc2)CC1.CC(C)(C)OC(=O)N1CCN(CCC(=O)O)CC1.CC(C)(C)OC(=O)N1CCN(CCc2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4O)o2)CC1.CC(C)(C)OC(=O)N1CCN(CCc2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4OCc3ccccc3)o2)CC1.CC(C)(C)OC(=O)N1CCN(CCc2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4OS(=O)(=O)[O-])o2)CC1.CCCC[N+](CCCC)(CCCC)CCCC.NNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1.O=C1N2C[C@@H](CC[C@H]2c2nnc(CCN3CCNCC3)o2)N1OS(=O)(=O)O.O=C1N2C[C@@H](CC[C@H]2c2nnc(CCN3CCNCC3)o2)N1OS(=O)(=O)O.
What is the InChIKey of tert-butyl 4-[2-[5-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[3-oxo-4-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]butyl]piperazine-1-carboxylate;tert-butyl 4-[2-[5-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]piperazine-1-carboxylate;methane;[(2S,5R)-2-[5-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;bis([(2S,5R)-7-oxo-2-[5-(2-piperazin-1-ylethyl)-1,3,4-oxadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);tetrabutylazanium?
The InChIKey is HFPZSHMPZICEDV-DIWHCTDWSA-M. The full InChI is InChI=1S/C27H39N5O6.C26H36N6O5.C19H30N6O8S.C19H30N6O5.C16H36N.2C14H22N6O6S.C14H18N4O3.C12H22N2O4.2CH4/c1-27(2,3)38-26(36)30-15-13-29(14-16-30)12-11-22(33)17-28-24(34)23-10-9-21-18-31(23)25(35)32(21)37-19-20-7-5-4-6-8-20;1-26(2,3)37-25(34)30-15-13-29(14-16-30)12-11-22-27-28-23(36-22)21-10-9-20-17-31(21)24(33)32(20)35-18-19-7-5-4-6-8-19;1-19(2,3)32-18(27)23-10-8-22(9-11-23)7-6-15-20-21-16(31-15)14-5-4-13-12-24(14)17(26)25(13)33-34(28,29)30;1-19(2,3)30-18(27)23-10-8-22(9-11-23)7-6-15-20-21-16(29-15)14-5-4-13-12-24(14)17(26)25(13)28;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*21-14-19-9-10(20(14)26-27(22,23)24)1-2-11(19)13-17-16-12(25-13)3-6-18-7-4-15-5-8-18;15-16-13(19)12-7-6-11-8-17(12)14(20)18(11)21-9-10-4-2-1-3-5-10;1-12(2,3)18-11(17)14-8-6-13(7-9-14)5-4-10(15)16;;/h4-8,21,23H,9-19H2,1-3H3,(H,28,34);4-8,20-21H,9-18H2,1-3H3;13-14H,4-12H2,1-3H3,(H,28,29,30);13-14,28H,4-12H2,1-3H3;5-16H2,1-4H3;2*10-11,15H,1-9H2,(H,22,23,24);1-5,11-12H,6-9,15H2,(H,16,19);4-9H2,1-3H3,(H,15,16);2*1H4/q;;;;+1;;;;;;/p-1/t21-,23+;20-,21+;2*13-,14+;;2*10-,11+;11-,12+;;;/m1111.111.../s1.
What are the key properties of tert-butyl 4-[2-[5-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[3-oxo-4-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]butyl]piperazine-1-carboxylate;tert-butyl 4-[2-[5-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]piperazine-1-carboxylate;methane;[(2S,5R)-2-[5-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;bis([(2S,5R)-7-oxo-2-[5-(2-piperazin-1-ylethyl)-1,3,4-oxadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);tetrabutylazanium?
tert-butyl 4-[2-[5-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[3-oxo-4-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]butyl]piperazine-1-carboxylate;tert-butyl 4-[2-[5-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]piperazine-1-carboxylate;methane;[(2S,5R)-2-[5-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;bis([(2S,5R)-7-oxo-2-[5-(2-piperazin-1-ylethyl)-1,3,4-oxadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);tetrabutylazanium has a molecular weight of 3594.34 g/mol, XLogP of 13.30, 57 rotatable bonds, 9 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[5-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[3-oxo-4-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]butyl]piperazine-1-carboxylate;tert-butyl 4-[2-[5-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]piperazine-1-carboxylate;methane;[(2S,5R)-2-[5-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;bis([(2S,5R)-7-oxo-2-[5-(2-piperazin-1-ylethyl)-1,3,4-oxadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate);tetrabutylazanium is sourced from PubChem (CID 162204575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).