[(3S)-3-amino-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[(3S)-3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;(2Z)-2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetic acid;[(3S)-3-[(3Z)-3-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;hydroiodide

C104H101IN14O31S6 — CID 172957202

About [(3S)-3-amino-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[(3S)-3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;(2Z)-2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetic acid;[(3S)-3-[(3Z)-3-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;hydroiodide

[(3S)-3-amino-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[(3S)-3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;(2Z)-2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetic acid;[(3S)-3-[(3Z)-3-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;hydroiodide (PubChem CID 172957202) has the molecular formula C104H101IN14O31S6 and a molecular weight of 2362.32 g/mol. Its IUPAC name is [(3S)-3-amino-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[(3S)-3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;(2Z)-2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetic acid;[(3S)-3-[(3Z)-3-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;hydroiodide.

Molecular Properties

• Compound Name: [(3S)-3-amino-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[(3S)-3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;(2Z)-2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetic acid;[(3S)-3-[(3Z)-3-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;hydroiodide
• PubChem CID: 172957202
• Molecular Formula: C104H101IN14O31S6
• Molecular Weight: 2362.32 g/mol
• Exact Mass: 2360.41
• IUPAC Name: [(3S)-3-amino-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[(3S)-3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;(2Z)-2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetic acid;[(3S)-3-[(3Z)-3-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;hydroiodide
• SMILES: CC1(C)[C@H](CC(=O)/C(=N\OCc2cc(=O)c(O)cn2O)c2csc(N)n2)C(=O)N1OS(=O)(=O)O.CC1(C)[C@H](N)C(=O)N1OS(=O)(=O)O.Cc1nc(/C(=N/OCc2cc(=O)c(OC(c3ccccc3)c3ccccc3)cn2OC(c2ccccc2)c2ccccc2)C(=O)C[C@@H]2C(=O)N(OS(=O)(=O)O)C2(C)C)cs1.Cc1nc(/C(=N/OCc2cc(=O)c(OC(c3ccccc3)c3ccccc3)cn2OC(c2ccccc2)c2ccccc2)C(=O)O)cs1.I
• InChI: InChI=1S/C44H40N4O10S2.C38H31N3O6S.C17H19N5O10S2.C5H10N2O5S.HI/c1-29-45-36(28-59-29)40(38(50)25-35-43(51)48(44(35,2)3)58-60(52,53)54)46-55-27-34-24-37(49)39(56-41(30-16-8-4-9-17-30)31-18-10-5-11-19-31)26-47(34)57-42(32-20-12-6-13-21-32)33-22-14-7-15-23-33;1-26-39-32(25-48-26)35(38(43)44)40-45-24-31-22-33(42)34(46-36(27-14-6-2-7-15-27)28-16-8-3-9-17-28)23-41(31)47-37(29-18-10-4-11-19-29)30-20-12-5-13-21-30;1-17(2)9(15(26)22(17)32-34(28,29)30)4-12(24)14(10-7-33-16(18)19-10)20-31-6-8-3-11(23)13(25)5-21(8)27;1-5(2)3(6)4(8)7(5)12-13(9,10)11;/h4-24,26,28,35,41-42H,25,27H2,1-3H3,(H,52,53,54);2-23,25,36-37H,24H2,1H3,(H,43,44);3,5,7,9,25,27H,4,6H2,1-2H3,(H2,18,19)(H,28,29,30);3H,6H2,1-2H3,(H,9,10,11);1H/b46-40-;40-35-;20-14-;;/t35-;;9-;3-;/m1.11./s1
• InChIKey: CPDGKIRLOIZAGV-WDYUBDNJSA-N
• XLogP: 12.82
• TPSA: 622.03 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 41
• Rotatable Bonds: 41
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2362.32
LogP ≤ 5	12.82
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-amino-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[(3S)-3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;(2Z)-2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetic acid;[(3S)-3-[(3Z)-3-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;hydroiodide?

The IUPAC name of [(3S)-3-amino-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[(3S)-3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;(2Z)-2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetic acid;[(3S)-3-[(3Z)-3-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;hydroiodide (CID 172957202) is [(3S)-3-amino-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[(3S)-3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;(2Z)-2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetic acid;[(3S)-3-[(3Z)-3-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;hydroiodide.

What is the SMILES notation for [(3S)-3-amino-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[(3S)-3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;(2Z)-2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetic acid;[(3S)-3-[(3Z)-3-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;hydroiodide?

The canonical SMILES for [(3S)-3-amino-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[(3S)-3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;(2Z)-2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetic acid;[(3S)-3-[(3Z)-3-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;hydroiodide is CC1(C)[C@H](CC(=O)/C(=N\OCc2cc(=O)c(O)cn2O)c2csc(N)n2)C(=O)N1OS(=O)(=O)O.CC1(C)[C@H](N)C(=O)N1OS(=O)(=O)O.Cc1nc(/C(=N/OCc2cc(=O)c(OC(c3ccccc3)c3ccccc3)cn2OC(c2ccccc2)c2ccccc2)C(=O)C[C@@H]2C(=O)N(OS(=O)(=O)O)C2(C)C)cs1.Cc1nc(/C(=N/OCc2cc(=O)c(OC(c3ccccc3)c3ccccc3)cn2OC(c2ccccc2)c2ccccc2)C(=O)O)cs1.I.

What is the InChIKey of [(3S)-3-amino-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[(3S)-3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;(2Z)-2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetic acid;[(3S)-3-[(3Z)-3-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;hydroiodide?

The InChIKey is CPDGKIRLOIZAGV-WDYUBDNJSA-N. The full InChI is InChI=1S/C44H40N4O10S2.C38H31N3O6S.C17H19N5O10S2.C5H10N2O5S.HI/c1-29-45-36(28-59-29)40(38(50)25-35-43(51)48(44(35,2)3)58-60(52,53)54)46-55-27-34-24-37(49)39(56-41(30-16-8-4-9-17-30)31-18-10-5-11-19-31)26-47(34)57-42(32-20-12-6-13-21-32)33-22-14-7-15-23-33;1-26-39-32(25-48-26)35(38(43)44)40-45-24-31-22-33(42)34(46-36(27-14-6-2-7-15-27)28-16-8-3-9-17-28)23-41(31)47-37(29-18-10-4-11-19-29)30-20-12-5-13-21-30;1-17(2)9(15(26)22(17)32-34(28,29)30)4-12(24)14(10-7-33-16(18)19-10)20-31-6-8-3-11(23)13(25)5-21(8)27;1-5(2)3(6)4(8)7(5)12-13(9,10)11;/h4-24,26,28,35,41-42H,25,27H2,1-3H3,(H,52,53,54);2-23,25,36-37H,24H2,1H3,(H,43,44);3,5,7,9,25,27H,4,6H2,1-2H3,(H2,18,19)(H,28,29,30);3H,6H2,1-2H3,(H,9,10,11);1H/b46-40-;40-35-;20-14-;;/t35-;;9-;3-;/m1.11./s1.

What are the key properties of [(3S)-3-amino-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[(3S)-3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;(2Z)-2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetic acid;[(3S)-3-[(3Z)-3-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;hydroiodide?

[(3S)-3-amino-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[(3S)-3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;(2Z)-2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetic acid;[(3S)-3-[(3Z)-3-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;hydroiodide has a molecular weight of 2362.32 g/mol, XLogP of 12.82, 41 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-amino-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[(3S)-3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;(2Z)-2-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-2-(2-methyl-1,3-thiazol-4-yl)acetic acid;[(3S)-3-[(3Z)-3-[(1,5-dibenzhydryloxy-4-oxo-2-pyridinyl)methoxyimino]-3-(2-methyl-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;hydroiodide is sourced from PubChem (CID 172957202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).