[3-[(3Z)-3-[2-[[2-(2-aminoethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]ethoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-2-oxo-3-[2-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)ethoxyimino]propyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate

C96H127N26O32S8+ — CID 172962641

About [3-[(3Z)-3-[2-[[2-(2-aminoethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]ethoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-2-oxo-3-[2-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)ethoxyimino]propyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate

[3-[(3Z)-3-[2-[[2-(2-aminoethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]ethoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-2-oxo-3-[2-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)ethoxyimino]propyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate (PubChem CID 172962641) has the molecular formula C96H127N26O32S8+ and a molecular weight of 2413.76 g/mol. Its IUPAC name is [3-[(3Z)-3-[2-[[2-(2-aminoethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]ethoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-2-oxo-3-[2-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)ethoxyimino]propyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate.

Molecular Properties

• Compound Name: [3-[(3Z)-3-[2-[[2-(2-aminoethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]ethoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-2-oxo-3-[2-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)ethoxyimino]propyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate
• PubChem CID: 172962641
• Molecular Formula: C96H127N26O32S8+
• Molecular Weight: 2413.76 g/mol
• Exact Mass: 2411.69
• IUPAC Name: [3-[(3Z)-3-[2-[[2-(2-aminoethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]ethoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-2-oxo-3-[2-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)ethoxyimino]propyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate
• SMILES: CC1(C)C(CC(=O)/C(=N\OCCOc2ccc3c(c2)CCN(/C(N)=N/CCCN)C3)c2csc(N)n2)C(=O)N1OS(=O)(=O)O.CC1(C)C(CC(=O)/C(=N\OCCOc2ccc3c(c2)CCNC3)c2csc(N)n2)C(=O)N1OS(=O)(=O)O.CC1(C)C(CC(=O)/C(=N\OCCOc2ccc3c(c2)CC[N+](C)(CCN)C3)c2csc(N)n2)C(=O)N1OS(=O)(=O)O.[H]/N=C(\N)N1CCc2cc(OCCO/N=C(\C(=O)CC3C(=O)N(OS(=O)(=O)O)C3(C)C)c3csc(N)n3)ccc2C1
• InChI: InChI=1S/C26H36N8O8S2.C25H34N6O8S2.C23H29N7O8S2.C22H27N5O8S2/c1-26(2)19(23(36)34(26)42-44(37,38)39)13-21(35)22(20-15-43-25(29)31-20)32-41-11-10-40-18-5-4-17-14-33(9-6-16(17)12-18)24(28)30-8-3-7-27;1-25(2)19(23(33)30(25)39-41(34,35)36)13-21(32)22(20-15-40-24(27)28-20)29-38-11-10-37-18-5-4-17-14-31(3,9-7-26)8-6-16(17)12-18;1-23(2)16(20(32)30(23)38-40(33,34)35)10-18(31)19(17-12-39-22(26)27-17)28-37-8-7-36-15-4-3-14-11-29(21(24)25)6-5-13(14)9-15;1-22(2)16(20(29)27(22)35-37(30,31)32)10-18(28)19(17-12-36-21(23)25-17)26-34-8-7-33-15-4-3-14-11-24-6-5-13(14)9-15/h4-5,12,15,19H,3,6-11,13-14,27H2,1-2H3,(H2,28,30)(H2,29,31)(H,37,38,39);4-5,12,15,19H,6-11,13-14,26H2,1-3H3,(H2-,27,28,34,35,36);3-4,9,12,16H,5-8,10-11H2,1-2H3,(H3,24,25)(H2,26,27)(H,33,34,35);3-4,9,12,16,24H,5-8,10-11H2,1-2H3,(H2,23,25)(H,30,31,32)/p+1/b32-22-;29-22-;28-19-;26-19-
• InChIKey: IFVFYMSCVUGUMG-BGSGJTBGSA-O
• XLogP: 3.20
• TPSA: 841.64 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 49
• Rotatable Bonds: 49
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2413.76
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[(3Z)-3-[2-[[2-(2-aminoethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]ethoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-2-oxo-3-[2-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)ethoxyimino]propyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate?

The IUPAC name of [3-[(3Z)-3-[2-[[2-(2-aminoethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]ethoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-2-oxo-3-[2-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)ethoxyimino]propyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate (CID 172962641) is [3-[(3Z)-3-[2-[[2-(2-aminoethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]ethoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-2-oxo-3-[2-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)ethoxyimino]propyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate.

What is the SMILES notation for [3-[(3Z)-3-[2-[[2-(2-aminoethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]ethoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-2-oxo-3-[2-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)ethoxyimino]propyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate?

The canonical SMILES for [3-[(3Z)-3-[2-[[2-(2-aminoethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]ethoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-2-oxo-3-[2-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)ethoxyimino]propyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate is CC1(C)C(CC(=O)/C(=N\OCCOc2ccc3c(c2)CCN(/C(N)=N/CCCN)C3)c2csc(N)n2)C(=O)N1OS(=O)(=O)O.CC1(C)C(CC(=O)/C(=N\OCCOc2ccc3c(c2)CCNC3)c2csc(N)n2)C(=O)N1OS(=O)(=O)O.CC1(C)C(CC(=O)/C(=N\OCCOc2ccc3c(c2)CC[N+](C)(CCN)C3)c2csc(N)n2)C(=O)N1OS(=O)(=O)O.[H]/N=C(\N)N1CCc2cc(OCCO/N=C(\C(=O)CC3C(=O)N(OS(=O)(=O)O)C3(C)C)c3csc(N)n3)ccc2C1.

What is the InChIKey of [3-[(3Z)-3-[2-[[2-(2-aminoethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]ethoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-2-oxo-3-[2-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)ethoxyimino]propyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate?

The InChIKey is IFVFYMSCVUGUMG-BGSGJTBGSA-O. The full InChI is InChI=1S/C26H36N8O8S2.C25H34N6O8S2.C23H29N7O8S2.C22H27N5O8S2/c1-26(2)19(23(36)34(26)42-44(37,38)39)13-21(35)22(20-15-43-25(29)31-20)32-41-11-10-40-18-5-4-17-14-33(9-6-16(17)12-18)24(28)30-8-3-7-27;1-25(2)19(23(33)30(25)39-41(34,35)36)13-21(32)22(20-15-40-24(27)28-20)29-38-11-10-37-18-5-4-17-14-31(3,9-7-26)8-6-16(17)12-18;1-23(2)16(20(32)30(23)38-40(33,34)35)10-18(31)19(17-12-39-22(26)27-17)28-37-8-7-36-15-4-3-14-11-29(21(24)25)6-5-13(14)9-15;1-22(2)16(20(29)27(22)35-37(30,31)32)10-18(28)19(17-12-36-21(23)25-17)26-34-8-7-33-15-4-3-14-11-24-6-5-13(14)9-15/h4-5,12,15,19H,3,6-11,13-14,27H2,1-2H3,(H2,28,30)(H2,29,31)(H,37,38,39);4-5,12,15,19H,6-11,13-14,26H2,1-3H3,(H2-,27,28,34,35,36);3-4,9,12,16H,5-8,10-11H2,1-2H3,(H3,24,25)(H2,26,27)(H,33,34,35);3-4,9,12,16,24H,5-8,10-11H2,1-2H3,(H2,23,25)(H,30,31,32)/p+1/b32-22-;29-22-;28-19-;26-19-.

What are the key properties of [3-[(3Z)-3-[2-[[2-(2-aminoethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]ethoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-2-oxo-3-[2-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)ethoxyimino]propyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate?

[3-[(3Z)-3-[2-[[2-(2-aminoethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]ethoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-2-oxo-3-[2-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)ethoxyimino]propyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate has a molecular weight of 2413.76 g/mol, XLogP of 3.20, 49 rotatable bonds, 14 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(3Z)-3-[2-[[2-(2-aminoethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-[2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]ethoxyimino]-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-2-oxo-3-[2-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)ethoxyimino]propyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate is sourced from PubChem (CID 172962641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).