About [(2S,5R)-2-[5-[(azetidin-3-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutyl-N-[2-oxo-3-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]propyl]carbamate;tert-butyl N-cyclobutyl-N-[[5-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]carbamate;tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylcyclobutyl)carbamate;ethyl 2-bromoacetate;ethyl 2-[(3-methylcyclobutyl)amino]acetate;ethyl 2-[(3-methylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;hydrazine;3-methylcyclobutan-1-amine;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;hydrate
[(2S,5R)-2-[5-[(azetidin-3-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutyl-N-[2-oxo-3-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]propyl]carbamate;tert-butyl N-cyclobutyl-N-[[5-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]carbamate;tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylcyclobutyl)carbamate;ethyl 2-bromoacetate;ethyl 2-[(3-methylcyclobutyl)amino]acetate;ethyl 2-[(3-methylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;hydrazine;3-methylcyclobutan-1-amine;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;hydrate (PubChem CID 158679538) has the molecular formula C121H192BrN25O33S
and a molecular weight of 2636.98 g/mol. Its IUPAC name is [(2S,5R)-2-[5-[(azetidin-3-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutyl-N-[2-oxo-3-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]propyl]carbamate;tert-butyl N-cyclobutyl-N-[[5-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]carbamate;tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylcyclobutyl)carbamate;ethyl 2-bromoacetate;ethyl 2-[(3-methylcyclobutyl)amino]acetate;ethyl 2-[(3-methylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;hydrazine;3-methylcyclobutan-1-amine;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;hydrate.
Frequently Asked Questions
What is the IUPAC name of [(2S,5R)-2-[5-[(azetidin-3-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutyl-N-[2-oxo-3-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]propyl]carbamate;tert-butyl N-cyclobutyl-N-[[5-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]carbamate;tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylcyclobutyl)carbamate;ethyl 2-bromoacetate;ethyl 2-[(3-methylcyclobutyl)amino]acetate;ethyl 2-[(3-methylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;hydrazine;3-methylcyclobutan-1-amine;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;hydrate?
The IUPAC name of [(2S,5R)-2-[5-[(azetidin-3-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutyl-N-[2-oxo-3-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]propyl]carbamate;tert-butyl N-cyclobutyl-N-[[5-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]carbamate;tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylcyclobutyl)carbamate;ethyl 2-bromoacetate;ethyl 2-[(3-methylcyclobutyl)amino]acetate;ethyl 2-[(3-methylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;hydrazine;3-methylcyclobutan-1-amine;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;hydrate (CID 158679538) is [(2S,5R)-2-[5-[(azetidin-3-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutyl-N-[2-oxo-3-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]propyl]carbamate;tert-butyl N-cyclobutyl-N-[[5-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]carbamate;tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylcyclobutyl)carbamate;ethyl 2-bromoacetate;ethyl 2-[(3-methylcyclobutyl)amino]acetate;ethyl 2-[(3-methylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;hydrazine;3-methylcyclobutan-1-amine;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;hydrate.
What is the SMILES notation for [(2S,5R)-2-[5-[(azetidin-3-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutyl-N-[2-oxo-3-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]propyl]carbamate;tert-butyl N-cyclobutyl-N-[[5-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]carbamate;tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylcyclobutyl)carbamate;ethyl 2-bromoacetate;ethyl 2-[(3-methylcyclobutyl)amino]acetate;ethyl 2-[(3-methylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;hydrazine;3-methylcyclobutan-1-amine;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;hydrate?
The canonical SMILES for [(2S,5R)-2-[5-[(azetidin-3-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutyl-N-[2-oxo-3-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]propyl]carbamate;tert-butyl N-cyclobutyl-N-[[5-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]carbamate;tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylcyclobutyl)carbamate;ethyl 2-bromoacetate;ethyl 2-[(3-methylcyclobutyl)amino]acetate;ethyl 2-[(3-methylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;hydrazine;3-methylcyclobutan-1-amine;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;hydrate is CC(C)(C)OC(=O)N(CC(=O)CNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1)C1CCC1.CC(C)(C)OC(=O)N(Cc1nnc([C@@H]2CC[C@@H]3CN2C(=O)N3OCc2ccccc2)o1)C1CCC1.CC1CC(N(CC(=O)NN)C(=O)OC(C)(C)C)C1.CC1CC(N)C1.CCOC(=O)CBr.CCOC(=O)CN(C(=O)OC(C)(C)C)C1CC(C)C1.CCOC(=O)CNC1CC(C)C1.NN.O.O=C(O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1.O=C1N2C[C@@H](CC[C@H]2c2nnc(CNC3CNC3)o2)N1OS(=O)(=O)O.
What is the InChIKey of [(2S,5R)-2-[5-[(azetidin-3-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutyl-N-[2-oxo-3-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]propyl]carbamate;tert-butyl N-cyclobutyl-N-[[5-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]carbamate;tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylcyclobutyl)carbamate;ethyl 2-bromoacetate;ethyl 2-[(3-methylcyclobutyl)amino]acetate;ethyl 2-[(3-methylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;hydrazine;3-methylcyclobutan-1-amine;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;hydrate?
The InChIKey is MNQZJNQLAGDJFN-SLJAYLDVSA-N. The full InChI is InChI=1S/C26H36N4O6.C25H33N5O5.C14H16N2O4.C14H25NO4.C12H18N6O6S.C12H23N3O3.C9H17NO2.C5H11N.C4H7BrO2.H4N2.H2O/c1-26(2,3)36-25(34)28(19-10-7-11-19)16-21(31)14-27-23(32)22-13-12-20-15-29(22)24(33)30(20)35-17-18-8-5-4-6-9-18;1-25(2,3)35-24(32)28(18-10-7-11-18)15-21-26-27-22(34-21)20-13-12-19-14-29(20)23(31)30(19)33-16-17-8-5-4-6-9-17;17-13(18)12-7-6-11-8-15(12)14(19)16(11)20-9-10-4-2-1-3-5-10;1-6-18-12(16)9-15(11-7-10(2)8-11)13(17)19-14(3,4)5;19-12-17-6-8(18(12)24-25(20,21)22)1-2-9(17)11-16-15-10(23-11)5-14-7-3-13-4-7;1-8-5-9(6-8)15(7-10(16)14-13)11(17)18-12(2,3)4;1-3-12-9(11)6-10-8-4-7(2)5-8;1-4-2-5(6)3-4;1-2-7-4(6)3-5;1-2;/h4-6,8-9,19-20,22H,7,10-17H2,1-3H3,(H,27,32);4-6,8-9,18-20H,7,10-16H2,1-3H3;1-5,11-12H,6-9H2,(H,17,18);10-11H,6-9H2,1-5H3;7-9,13-14H,1-6H2,(H,20,21,22);8-9H,5-7,13H2,1-4H3,(H,14,16);7-8,10H,3-6H2,1-2H3;4-5H,2-3,6H2,1H3;2-3H2,1H3;1-2H2;1H2/t20-,22+;19-,20+;11-,12+;;8-,9+;;;;;;/m111.1....../s1.
What are the key properties of [(2S,5R)-2-[5-[(azetidin-3-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutyl-N-[2-oxo-3-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]propyl]carbamate;tert-butyl N-cyclobutyl-N-[[5-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]carbamate;tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylcyclobutyl)carbamate;ethyl 2-bromoacetate;ethyl 2-[(3-methylcyclobutyl)amino]acetate;ethyl 2-[(3-methylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;hydrazine;3-methylcyclobutan-1-amine;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;hydrate?
[(2S,5R)-2-[5-[(azetidin-3-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutyl-N-[2-oxo-3-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]propyl]carbamate;tert-butyl N-cyclobutyl-N-[[5-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]carbamate;tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylcyclobutyl)carbamate;ethyl 2-bromoacetate;ethyl 2-[(3-methylcyclobutyl)amino]acetate;ethyl 2-[(3-methylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;hydrazine;3-methylcyclobutan-1-amine;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;hydrate has a molecular weight of 2636.98 g/mol, XLogP of 11.79, 39 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-2-[5-[(azetidin-3-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutyl-N-[2-oxo-3-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]propyl]carbamate;tert-butyl N-cyclobutyl-N-[[5-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]carbamate;tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylcyclobutyl)carbamate;ethyl 2-bromoacetate;ethyl 2-[(3-methylcyclobutyl)amino]acetate;ethyl 2-[(3-methylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;hydrazine;3-methylcyclobutan-1-amine;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid;hydrate is sourced from PubChem (CID 158679538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).