[(2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutylcarbamate;carbon dioxide;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[2-(3-methylcyclobutyl)-2-oxoethyl]-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;[(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;tetrabutylazanium

C119H174N26O25S6 — CID 157350172

IUPAC[(2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutylcarbamate;carbon dioxide;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[2-(3-methylcyclobutyl)-2-oxoethyl]-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;[(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;tetrabutylazanium
SMILESCC(C)(C)OC(=O)NC1CCC1.CC1CC(C(=O)CNC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OCc2ccccc2)C1.CC1CC(c2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4O)s2)C1.CC1CC(c2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4OCc3ccccc3)s2)C1.CC1CC(c2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4OS(=O)(=O)[O-])s2)C1.CCCC[N+](CCCC)(CCCC)CCCC.NC1CC(c2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4OS(=O)(=O)O)s2)C1.NNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1.O=C=O
InChIInChI=1S/C21H27N3O4.C20H24N4O2S.C16H36N.C14H18N4O3.C13H18N4O5S2.C13H18N4O2S.C12H17N5O5S2.C9H17NO2.CO2/c1-14-9-16(10-14)19(25)11-22-20(26)18-8-7-17-12-23(18)21(27)24(17)28-13-15-5-3-2-4-6-15;1-13-9-15(10-13)18-21-22-19(27-18)17-8-7-16-11-23(17)20(25)24(16)26-12-14-5-3-2-4-6-14;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;15-16-13(19)12-7-6-11-8-17(12)14(20)18(11)21-9-10-4-2-1-3-5-10;1-7-4-8(5-7)11-14-15-12(23-11)10-3-2-9-6-16(10)13(18)17(9)22-24(19,20)21;1-7-4-8(5-7)11-14-15-12(20-11)10-3-2-9-6-16(10)13(18)17(9)19;13-7-3-6(4-7)10-14-15-11(23-10)9-2-1-8-5-16(9)12(18)17(8)22-24(19,20)21;1-9(2,3)12-8(11)10-7-5-4-6-7;2-1-3/h2-6,14,16-18H,7-13H2,1H3,(H,22,26);2-6,13,15-17H,7-12H2,1H3;5-16H2,1-4H3;1-5,11-12H,6-9,15H2,(H,16,19);7-10H,2-6H2,1H3,(H,19,20,21);7-10,19H,2-6H2,1H3;6-9H,1-5,13H2,(H,19,20,21);7H,4-6H2,1-3H3,(H,10,11);/q;;+1;;;;;;/p-1/t14?,16?,17-,18+;13?,15?,16-,17+;;11-,12+;2*7?,8?,9-,10+;6?,7?,8-,9+;;/m11.1111../s1
InChIKeyBDXLFJCNVPIXIH-RMRYLKEDSA-M
MW2561.26 g/mol
LogP17.29
Rot. Bonds39

About [(2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutylcarbamate;carbon dioxide;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[2-(3-methylcyclobutyl)-2-oxoethyl]-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;[(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;tetrabutylazanium

[(2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutylcarbamate;carbon dioxide;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[2-(3-methylcyclobutyl)-2-oxoethyl]-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;[(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;tetrabutylazanium (PubChem CID 157350172) has the molecular formula C119H174N26O25S6 and a molecular weight of 2561.26 g/mol. Its IUPAC name is [(2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutylcarbamate;carbon dioxide;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[2-(3-methylcyclobutyl)-2-oxoethyl]-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;[(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;tetrabutylazanium.

Molecular Properties

Compound Name[(2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutylcarbamate;carbon dioxide;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[2-(3-methylcyclobutyl)-2-oxoethyl]-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;[(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;tetrabutylazanium
PubChem CID157350172
Molecular FormulaC119H174N26O25S6
Molecular Weight2561.26 g/mol
Exact Mass2559.15
IUPAC Name[(2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutylcarbamate;carbon dioxide;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[2-(3-methylcyclobutyl)-2-oxoethyl]-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;[(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;tetrabutylazanium
SMILESCC(C)(C)OC(=O)NC1CCC1.CC1CC(C(=O)CNC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OCc2ccccc2)C1.CC1CC(c2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4O)s2)C1.CC1CC(c2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4OCc3ccccc3)s2)C1.CC1CC(c2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4OS(=O)(=O)[O-])s2)C1.CCCC[N+](CCCC)(CCCC)CCCC.NC1CC(c2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4OS(=O)(=O)O)s2)C1.NNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1.O=C=O
InChIInChI=1S/C21H27N3O4.C20H24N4O2S.C16H36N.C14H18N4O3.C13H18N4O5S2.C13H18N4O2S.C12H17N5O5S2.C9H17NO2.CO2/c1-14-9-16(10-14)19(25)11-22-20(26)18-8-7-17-12-23(18)21(27)24(17)28-13-15-5-3-2-4-6-15;1-13-9-15(10-13)18-21-22-19(27-18)17-8-7-16-11-23(17)20(25)24(16)26-12-14-5-3-2-4-6-14;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;15-16-13(19)12-7-6-11-8-17(12)14(20)18(11)21-9-10-4-2-1-3-5-10;1-7-4-8(5-7)11-14-15-12(23-11)10-3-2-9-6-16(10)13(18)17(9)22-24(19,20)21;1-7-4-8(5-7)11-14-15-12(20-11)10-3-2-9-6-16(10)13(18)17(9)19;13-7-3-6(4-7)10-14-15-11(23-10)9-2-1-8-5-16(9)12(18)17(8)22-24(19,20)21;1-9(2,3)12-8(11)10-7-5-4-6-7;2-1-3/h2-6,14,16-18H,7-13H2,1H3,(H,22,26);2-6,13,15-17H,7-12H2,1H3;5-16H2,1-4H3;1-5,11-12H,6-9,15H2,(H,16,19);7-10H,2-6H2,1H3,(H,19,20,21);7-10,19H,2-6H2,1H3;6-9H,1-5,13H2,(H,19,20,21);7H,4-6H2,1-3H3,(H,10,11);/q;;+1;;;;;;/p-1/t14?,16?,17-,18+;13?,15?,16-,17+;;11-,12+;2*7?,8?,9-,10+;6?,7?,8-,9+;;/m11.1111../s1
InChIKeyBDXLFJCNVPIXIH-RMRYLKEDSA-M
XLogP17.29
TPSA622.15 Ų
H-Bond Donors7
H-Bond Acceptors38
Rotatable Bonds39
Heavy Atoms176
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002561.26
LogP ≤ 517.29
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [(2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutylcarbamate;carbon dioxide;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[2-(3-methylcyclobutyl)-2-oxoethyl]-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;[(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;tetrabutylazanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutylcarbamate;carbon dioxide;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[2-(3-methylcyclobutyl)-2-oxoethyl]-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;[(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;tetrabutylazanium?
The IUPAC name of [(2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutylcarbamate;carbon dioxide;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[2-(3-methylcyclobutyl)-2-oxoethyl]-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;[(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;tetrabutylazanium (CID 157350172) is [(2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutylcarbamate;carbon dioxide;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[2-(3-methylcyclobutyl)-2-oxoethyl]-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;[(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;tetrabutylazanium.
What is the SMILES notation for [(2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutylcarbamate;carbon dioxide;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[2-(3-methylcyclobutyl)-2-oxoethyl]-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;[(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;tetrabutylazanium?
The canonical SMILES for [(2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutylcarbamate;carbon dioxide;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[2-(3-methylcyclobutyl)-2-oxoethyl]-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;[(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;tetrabutylazanium is CC(C)(C)OC(=O)NC1CCC1.CC1CC(C(=O)CNC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OCc2ccccc2)C1.CC1CC(c2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4O)s2)C1.CC1CC(c2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4OCc3ccccc3)s2)C1.CC1CC(c2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4OS(=O)(=O)[O-])s2)C1.CCCC[N+](CCCC)(CCCC)CCCC.NC1CC(c2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4OS(=O)(=O)O)s2)C1.NNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1.O=C=O.
What is the InChIKey of [(2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutylcarbamate;carbon dioxide;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[2-(3-methylcyclobutyl)-2-oxoethyl]-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;[(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;tetrabutylazanium?
The InChIKey is BDXLFJCNVPIXIH-RMRYLKEDSA-M. The full InChI is InChI=1S/C21H27N3O4.C20H24N4O2S.C16H36N.C14H18N4O3.C13H18N4O5S2.C13H18N4O2S.C12H17N5O5S2.C9H17NO2.CO2/c1-14-9-16(10-14)19(25)11-22-20(26)18-8-7-17-12-23(18)21(27)24(17)28-13-15-5-3-2-4-6-15;1-13-9-15(10-13)18-21-22-19(27-18)17-8-7-16-11-23(17)20(25)24(16)26-12-14-5-3-2-4-6-14;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;15-16-13(19)12-7-6-11-8-17(12)14(20)18(11)21-9-10-4-2-1-3-5-10;1-7-4-8(5-7)11-14-15-12(23-11)10-3-2-9-6-16(10)13(18)17(9)22-24(19,20)21;1-7-4-8(5-7)11-14-15-12(20-11)10-3-2-9-6-16(10)13(18)17(9)19;13-7-3-6(4-7)10-14-15-11(23-10)9-2-1-8-5-16(9)12(18)17(8)22-24(19,20)21;1-9(2,3)12-8(11)10-7-5-4-6-7;2-1-3/h2-6,14,16-18H,7-13H2,1H3,(H,22,26);2-6,13,15-17H,7-12H2,1H3;5-16H2,1-4H3;1-5,11-12H,6-9,15H2,(H,16,19);7-10H,2-6H2,1H3,(H,19,20,21);7-10,19H,2-6H2,1H3;6-9H,1-5,13H2,(H,19,20,21);7H,4-6H2,1-3H3,(H,10,11);/q;;+1;;;;;;/p-1/t14?,16?,17-,18+;13?,15?,16-,17+;;11-,12+;2*7?,8?,9-,10+;6?,7?,8-,9+;;/m11.1111../s1.
What are the key properties of [(2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutylcarbamate;carbon dioxide;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[2-(3-methylcyclobutyl)-2-oxoethyl]-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;[(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;tetrabutylazanium?
[(2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutylcarbamate;carbon dioxide;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[2-(3-methylcyclobutyl)-2-oxoethyl]-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;[(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;tetrabutylazanium has a molecular weight of 2561.26 g/mol, XLogP of 17.29, 39 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-2-[5-(3-aminocyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;tert-butyl N-cyclobutylcarbamate;carbon dioxide;(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-N-[2-(3-methylcyclobutyl)-2-oxoethyl]-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;[(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;(2S,5R)-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide;tetrabutylazanium is sourced from PubChem (CID 157350172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).