Bis((2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide);(2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(1-ethynyl-3,3-difluorocyclobutyl)azanium;2-[(2R,4R)-9-methoxycarbonyl-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetic acid;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;trifluoromethanesulfonate

C₁₃₀H₁₁₅Cl₃F₁₆N₂₄O₂₆S — CID 158816320

About Bis((2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide);(2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(1-ethynyl-3,3-difluorocyclobutyl)azanium;2-[(2R,4R)-9-methoxycarbonyl-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetic acid;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;trifluoromethanesulfonate

Bis((2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide);(2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(1-ethynyl-3,3-difluorocyclobutyl)azanium;2-[(2R,4R)-9-methoxycarbonyl-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetic acid;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;trifluoromethanesulfonate (PubChem CID 158816320) has the molecular formula C₁₃₀H₁₁₅Cl₃F₁₆N₂₄O₂₆S and a molecular weight of 2871.89 g/mol. Its IUPAC name is bis((2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide);(2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(1-ethynyl-3,3-difluorocyclobutyl)azanium;2-[(2R,4R)-9-methoxycarbonyl-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetic acid;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;trifluoromethanesulfonate.

Molecular Properties

• Compound Name: Bis((2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide);(2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(1-ethynyl-3,3-difluorocyclobutyl)azanium;2-[(2R,4R)-9-methoxycarbonyl-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetic acid;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;trifluoromethanesulfonate
• PubChem CID: 158816320
• Molecular Formula: C₁₃₀H₁₁₅Cl₃F₁₆N₂₄O₂₆S
• Molecular Weight: 2871.89 g/mol
• Exact Mass: 2868.69
• IUPAC Name: bis((2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide);(2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(1-ethynyl-3,3-difluorocyclobutyl)azanium;2-[(2R,4R)-9-methoxycarbonyl-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetic acid;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;trifluoromethanesulfonate
• SMILES: C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(Cl)c3)n3c2C[C@H]2C[C@H]23)CC(F)(F)C1.C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)On3nnc4cccnc43)n3c2C[C@H]2C[C@H]23)CC(F)(F)C1.C#CC1([NH3+])CC(F)(F)C1.CCOC(=O)C(=O)c1c(C)c(C(=O)OC)n2c1C[C@H]1C[C@H]12.COC(=O)c1c(C)c(C(=O)C(=O)O)c2n1[C@@H]1C[C@@H]1C2.Cc1c(C(=O)C(=O)NC2(c3cn[nH]n3)CC(F)(F)C2)c2n(c1C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1C[C@@H]1C2.Cc1c(C(=O)C(=O)NC2(c3cn[nH]n3)CC(F)(F)C2)c2n(c1C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1C[C@@H]1C2.O=S(=O)([O-])C(F)(F)F
• InChI: InChI=1S/2C24H20ClF3N6O3.C24H19ClF3N3O3.C23H18F2N6O4.C15H17NO5.C13H13NO5.C6H7F2N.CHF3O3S/c2*1-10-18(20(35)22(37)31-23(8-24(27,28)9-23)17-7-29-33-32-17)16-5-11-4-15(11)34(16)19(10)21(36)30-12-2-3-14(26)13(25)6-12;1-3-23(9-24(27,28)10-23)30-22(34)20(32)18-11(2)19(31-16-6-12(16)7-17(18)31)21(33)29-13-4-5-15(26)14(25)8-13;1-3-22(9-23(24,25)10-22)27-20(33)18(32)16-11(2)17(30-14-7-12(14)8-15(16)30)21(34)35-31-19-13(28-29-31)5-4-6-26-19;1-4-21-15(19)13(17)11-7(2)12(14(18)20-3)16-9-5-8(9)6-10(11)16;1-5-9(11(15)12(16)17)8-4-6-3-7(6)14(8)10(5)13(18)19-2;1-2-5(9)3-6(7,8)4-5;2-1(3,4)8(5,6)7/h2*2-3,6-7,11,15H,4-5,8-9H2,1H3,(H,30,36)(H,31,37)(H,29,32,33);1,4-5,8,12,16H,6-7,9-10H2,2H3,(H,29,33)(H,30,34);1,4-6,12,14H,7-10H2,2H3,(H,27,33);8-9H,4-6H2,1-3H3;6-7H,3-4H2,1-2H3,(H,16,17);1H,3-4,9H2;(H,5,6,7)/t2*11-,15-;12-,16-;12-,14-;8-,9-;6-,7-;;/m111111../s1
• InChIKey: IVHUWDQRYLEZTO-VZCRKAQBSA-N
• XLogP: 15.38
• TPSA: 689.78 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 39
• Rotatable Bonds: 29
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2871.89
LogP ≤ 5	15.38
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'ester_of_HOBT', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Bis((2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide);(2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(1-ethynyl-3,3-difluorocyclobutyl)azanium;2-[(2R,4R)-9-methoxycarbonyl-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetic acid;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;trifluoromethanesulfonate?

The IUPAC name of Bis((2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide);(2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(1-ethynyl-3,3-difluorocyclobutyl)azanium;2-[(2R,4R)-9-methoxycarbonyl-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetic acid;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;trifluoromethanesulfonate (CID 158816320) is bis((2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide);(2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(1-ethynyl-3,3-difluorocyclobutyl)azanium;2-[(2R,4R)-9-methoxycarbonyl-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetic acid;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;trifluoromethanesulfonate.

What is the SMILES notation for Bis((2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide);(2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(1-ethynyl-3,3-difluorocyclobutyl)azanium;2-[(2R,4R)-9-methoxycarbonyl-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetic acid;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;trifluoromethanesulfonate?

The canonical SMILES for Bis((2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide);(2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(1-ethynyl-3,3-difluorocyclobutyl)azanium;2-[(2R,4R)-9-methoxycarbonyl-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetic acid;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;trifluoromethanesulfonate is C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(Cl)c3)n3c2C[C@H]2C[C@H]23)CC(F)(F)C1.C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)On3nnc4cccnc43)n3c2C[C@H]2C[C@H]23)CC(F)(F)C1.C#CC1([NH3+])CC(F)(F)C1.CCOC(=O)C(=O)c1c(C)c(C(=O)OC)n2c1C[C@H]1C[C@H]12.COC(=O)c1c(C)c(C(=O)C(=O)O)c2n1[C@@H]1C[C@@H]1C2.Cc1c(C(=O)C(=O)NC2(c3cn[nH]n3)CC(F)(F)C2)c2n(c1C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1C[C@@H]1C2.Cc1c(C(=O)C(=O)NC2(c3cn[nH]n3)CC(F)(F)C2)c2n(c1C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1C[C@@H]1C2.O=S(=O)([O-])C(F)(F)F.

What is the InChIKey of Bis((2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide);(2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(1-ethynyl-3,3-difluorocyclobutyl)azanium;2-[(2R,4R)-9-methoxycarbonyl-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetic acid;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;trifluoromethanesulfonate?

The InChIKey is IVHUWDQRYLEZTO-VZCRKAQBSA-N. The full InChI is InChI=1S/2C24H20ClF3N6O3.C24H19ClF3N3O3.C23H18F2N6O4.C15H17NO5.C13H13NO5.C6H7F2N.CHF3O3S/c2*1-10-18(20(35)22(37)31-23(8-24(27,28)9-23)17-7-29-33-32-17)16-5-11-4-15(11)34(16)19(10)21(36)30-12-2-3-14(26)13(25)6-12;1-3-23(9-24(27,28)10-23)30-22(34)20(32)18-11(2)19(31-16-6-12(16)7-17(18)31)21(33)29-13-4-5-15(26)14(25)8-13;1-3-22(9-23(24,25)10-22)27-20(33)18(32)16-11(2)17(30-14-7-12(14)8-15(16)30)21(34)35-31-19-13(28-29-31)5-4-6-26-19;1-4-21-15(19)13(17)11-7(2)12(14(18)20-3)16-9-5-8(9)6-10(11)16;1-5-9(11(15)12(16)17)8-4-6-3-7(6)14(8)10(5)13(18)19-2;1-2-5(9)3-6(7,8)4-5;2-1(3,4)8(5,6)7/h2*2-3,6-7,11,15H,4-5,8-9H2,1H3,(H,30,36)(H,31,37)(H,29,32,33);1,4-5,8,12,16H,6-7,9-10H2,2H3,(H,29,33)(H,30,34);1,4-6,12,14H,7-10H2,2H3,(H,27,33);8-9H,4-6H2,1-3H3;6-7H,3-4H2,1-2H3,(H,16,17);1H,3-4,9H2;(H,5,6,7)/t2*11-,15-;12-,16-;12-,14-;8-,9-;6-,7-;;/m111111../s1.

What are the key properties of Bis((2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide);(2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(1-ethynyl-3,3-difluorocyclobutyl)azanium;2-[(2R,4R)-9-methoxycarbonyl-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetic acid;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;trifluoromethanesulfonate?

Bis((2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide);(2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(1-ethynyl-3,3-difluorocyclobutyl)azanium;2-[(2R,4R)-9-methoxycarbonyl-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetic acid;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;trifluoromethanesulfonate has a molecular weight of 2871.89 g/mol, XLogP of 15.38, 29 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for Bis((2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide);(2R,4R)-N-(3-chloro-4-fluorophenyl)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;(1-ethynyl-3,3-difluorocyclobutyl)azanium;2-[(2R,4R)-9-methoxycarbonyl-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetic acid;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;trifluoromethanesulfonate is sourced from PubChem (CID 158816320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158816320 — identifiers, structure, computed properties (public domain)

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