(2R)-3-[2-[5-carboxypentyl(methyl)azaniumyl]ethylamino]-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-oxopropane-1-sulfonate;(2R)-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-methylazaniumyl]ethylamino]-3-oxopropane-1-sulfonate;3-[12-[(E)-2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutoxy]phenyl]ethenyl]-2,2-difluoro-10-methyl-4-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-6-yl]propyl-trimethylazanium;tris(2,2,2-trifluoroacetate)

C134H163B3F15N17O29S5 — CID 158586230

About (2R)-3-[2-[5-carboxypentyl(methyl)azaniumyl]ethylamino]-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-oxopropane-1-sulfonate;(2R)-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-methylazaniumyl]ethylamino]-3-oxopropane-1-sulfonate;3-[12-[(E)-2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutoxy]phenyl]ethenyl]-2,2-difluoro-10-methyl-4-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-6-yl]propyl-trimethylazanium;tris(2,2,2-trifluoroacetate)

(2R)-3-[2-[5-carboxypentyl(methyl)azaniumyl]ethylamino]-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-oxopropane-1-sulfonate;(2R)-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-methylazaniumyl]ethylamino]-3-oxopropane-1-sulfonate;3-[12-[(E)-2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutoxy]phenyl]ethenyl]-2,2-difluoro-10-methyl-4-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-6-yl]propyl-trimethylazanium;tris(2,2,2-trifluoroacetate) (PubChem CID 158586230) has the molecular formula C134H163B3F15N17O29S5 and a molecular weight of 2953.61 g/mol. Its IUPAC name is (2R)-3-[2-[5-carboxypentyl(methyl)azaniumyl]ethylamino]-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-oxopropane-1-sulfonate;(2R)-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-methylazaniumyl]ethylamino]-3-oxopropane-1-sulfonate;3-[12-[(E)-2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutoxy]phenyl]ethenyl]-2,2-difluoro-10-methyl-4-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-6-yl]propyl-trimethylazanium;tris(2,2,2-trifluoroacetate).

Molecular Properties

• Compound Name: (2R)-3-[2-[5-carboxypentyl(methyl)azaniumyl]ethylamino]-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-oxopropane-1-sulfonate;(2R)-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-methylazaniumyl]ethylamino]-3-oxopropane-1-sulfonate;3-[12-[(E)-2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutoxy]phenyl]ethenyl]-2,2-difluoro-10-methyl-4-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-6-yl]propyl-trimethylazanium;tris(2,2,2-trifluoroacetate)
• PubChem CID: 158586230
• Molecular Formula: C134H163B3F15N17O29S5
• Molecular Weight: 2953.61 g/mol
• Exact Mass: 2952.04
• IUPAC Name: (2R)-3-[2-[5-carboxypentyl(methyl)azaniumyl]ethylamino]-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-oxopropane-1-sulfonate;(2R)-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-methylazaniumyl]ethylamino]-3-oxopropane-1-sulfonate;3-[12-[(E)-2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutoxy]phenyl]ethenyl]-2,2-difluoro-10-methyl-4-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-6-yl]propyl-trimethylazanium;tris(2,2,2-trifluoroacetate)
• SMILES: Cc1cc(/C=C/c2ccc(OCCCC(=O)N[C@@H](CS(=O)(=O)[O-])C(=O)NCC[NH+](C)CCCCCC(=O)O)cc2)n2c1C=C1C(CCC[N+](C)(C)C)=CC(c3cccs3)=[N+]1[B-]2(F)F.Cc1cc(/C=C/c2ccc(OCCCC(=O)N[C@@H](CS(=O)(=O)[O-])C(=O)NCC[NH+](C)CCCCCC(=O)ON3C(=O)CCC3=O)cc2)n2c1C=C1C(CCC[N+](C)(C)C)=CC(c3cccs3)=[N+]1[B-]2(F)F.Cc1cc(/C=C/c2ccc(OCCCC(=O)ON3C(=O)CCC3=O)cc2)n2c1C=C1C(CCC[N+](C)(C)C)=CC(c3cccs3)=[N+]1[B-]2(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F
• InChI: InChI=1S/C48H62BF2N7O10S2.C44H59BF2N6O8S2.C36H40BF2N4O5S.3C2HF3O2/c1-34-30-37(55-40(34)32-41-36(12-9-27-58(3,4)5)31-42(43-13-11-29-69-43)56(41)49(55,50)51)19-16-35-17-20-38(21-18-35)67-28-10-14-44(59)53-39(33-70(64,65)66)48(63)52-24-26-54(2)25-8-6-7-15-47(62)68-57-45(60)22-23-46(57)61;1-32-28-35(51-38(32)30-39-34(12-9-25-53(3,4)5)29-40(41-13-11-27-62-41)52(39)45(51,46)47)19-16-33-17-20-36(21-18-33)61-26-10-14-42(54)49-37(31-63(58,59)60)44(57)48-22-24-50(2)23-8-6-7-15-43(55)56;1-25-22-28(14-11-26-12-15-29(16-13-26)47-20-6-10-36(46)48-42-34(44)17-18-35(42)45)40-30(25)24-31-27(8-5-19-43(2,3)4)23-32(33-9-7-21-49-33)41(31)37(40,38)39;3*3-2(4,5)1(6)7/h11,13,16-21,29-32,39H,6-10,12,14-15,22-28,33H2,1-5H3,(H2-,52,53,59,63,64,65,66);11,13,16-21,27-30,37H,6-10,12,14-15,22-26,31H2,1-5H3,(H3-,48,49,54,55,56,57,58,59,60);7,9,11-16,21-24H,5-6,8,10,17-20H2,1-4H3;3*(H,6,7)/q;;+1;;;/p-1/b2*19-16+;14-11+;;;/t39-;37-;;;;/m00..../s1
• InChIKey: KAOHFZZBDZPVDK-FBMCQCPISA-M
• XLogP: 11.72
• TPSA: 576.24 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 64
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2953.61
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[2-[5-carboxypentyl(methyl)azaniumyl]ethylamino]-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-oxopropane-1-sulfonate;(2R)-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-methylazaniumyl]ethylamino]-3-oxopropane-1-sulfonate;3-[12-[(E)-2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutoxy]phenyl]ethenyl]-2,2-difluoro-10-methyl-4-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-6-yl]propyl-trimethylazanium;tris(2,2,2-trifluoroacetate)?

The IUPAC name of (2R)-3-[2-[5-carboxypentyl(methyl)azaniumyl]ethylamino]-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-oxopropane-1-sulfonate;(2R)-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-methylazaniumyl]ethylamino]-3-oxopropane-1-sulfonate;3-[12-[(E)-2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutoxy]phenyl]ethenyl]-2,2-difluoro-10-methyl-4-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-6-yl]propyl-trimethylazanium;tris(2,2,2-trifluoroacetate) (CID 158586230) is (2R)-3-[2-[5-carboxypentyl(methyl)azaniumyl]ethylamino]-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-oxopropane-1-sulfonate;(2R)-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-methylazaniumyl]ethylamino]-3-oxopropane-1-sulfonate;3-[12-[(E)-2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutoxy]phenyl]ethenyl]-2,2-difluoro-10-methyl-4-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-6-yl]propyl-trimethylazanium;tris(2,2,2-trifluoroacetate).

What is the SMILES notation for (2R)-3-[2-[5-carboxypentyl(methyl)azaniumyl]ethylamino]-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-oxopropane-1-sulfonate;(2R)-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-methylazaniumyl]ethylamino]-3-oxopropane-1-sulfonate;3-[12-[(E)-2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutoxy]phenyl]ethenyl]-2,2-difluoro-10-methyl-4-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-6-yl]propyl-trimethylazanium;tris(2,2,2-trifluoroacetate)?

The canonical SMILES for (2R)-3-[2-[5-carboxypentyl(methyl)azaniumyl]ethylamino]-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-oxopropane-1-sulfonate;(2R)-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-methylazaniumyl]ethylamino]-3-oxopropane-1-sulfonate;3-[12-[(E)-2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutoxy]phenyl]ethenyl]-2,2-difluoro-10-methyl-4-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-6-yl]propyl-trimethylazanium;tris(2,2,2-trifluoroacetate) is Cc1cc(/C=C/c2ccc(OCCCC(=O)N[C@@H](CS(=O)(=O)[O-])C(=O)NCC[NH+](C)CCCCCC(=O)O)cc2)n2c1C=C1C(CCC[N+](C)(C)C)=CC(c3cccs3)=[N+]1[B-]2(F)F.Cc1cc(/C=C/c2ccc(OCCCC(=O)N[C@@H](CS(=O)(=O)[O-])C(=O)NCC[NH+](C)CCCCCC(=O)ON3C(=O)CCC3=O)cc2)n2c1C=C1C(CCC[N+](C)(C)C)=CC(c3cccs3)=[N+]1[B-]2(F)F.Cc1cc(/C=C/c2ccc(OCCCC(=O)ON3C(=O)CCC3=O)cc2)n2c1C=C1C(CCC[N+](C)(C)C)=CC(c3cccs3)=[N+]1[B-]2(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.

What is the InChIKey of (2R)-3-[2-[5-carboxypentyl(methyl)azaniumyl]ethylamino]-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-oxopropane-1-sulfonate;(2R)-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-methylazaniumyl]ethylamino]-3-oxopropane-1-sulfonate;3-[12-[(E)-2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutoxy]phenyl]ethenyl]-2,2-difluoro-10-methyl-4-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-6-yl]propyl-trimethylazanium;tris(2,2,2-trifluoroacetate)?

The InChIKey is KAOHFZZBDZPVDK-FBMCQCPISA-M. The full InChI is InChI=1S/C48H62BF2N7O10S2.C44H59BF2N6O8S2.C36H40BF2N4O5S.3C2HF3O2/c1-34-30-37(55-40(34)32-41-36(12-9-27-58(3,4)5)31-42(43-13-11-29-69-43)56(41)49(55,50)51)19-16-35-17-20-38(21-18-35)67-28-10-14-44(59)53-39(33-70(64,65)66)48(63)52-24-26-54(2)25-8-6-7-15-47(62)68-57-45(60)22-23-46(57)61;1-32-28-35(51-38(32)30-39-34(12-9-25-53(3,4)5)29-40(41-13-11-27-62-41)52(39)45(51,46)47)19-16-33-17-20-36(21-18-33)61-26-10-14-42(54)49-37(31-63(58,59)60)44(57)48-22-24-50(2)23-8-6-7-15-43(55)56;1-25-22-28(14-11-26-12-15-29(16-13-26)47-20-6-10-36(46)48-42-34(44)17-18-35(42)45)40-30(25)24-31-27(8-5-19-43(2,3)4)23-32(33-9-7-21-49-33)41(31)37(40,38)39;3*3-2(4,5)1(6)7/h11,13,16-21,29-32,39H,6-10,12,14-15,22-28,33H2,1-5H3,(H2-,52,53,59,63,64,65,66);11,13,16-21,27-30,37H,6-10,12,14-15,22-26,31H2,1-5H3,(H3-,48,49,54,55,56,57,58,59,60);7,9,11-16,21-24H,5-6,8,10,17-20H2,1-4H3;3*(H,6,7)/q;;+1;;;/p-1/b2*19-16+;14-11+;;;/t39-;37-;;;;/m00..../s1.

What are the key properties of (2R)-3-[2-[5-carboxypentyl(methyl)azaniumyl]ethylamino]-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-oxopropane-1-sulfonate;(2R)-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-methylazaniumyl]ethylamino]-3-oxopropane-1-sulfonate;3-[12-[(E)-2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutoxy]phenyl]ethenyl]-2,2-difluoro-10-methyl-4-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-6-yl]propyl-trimethylazanium;tris(2,2,2-trifluoroacetate)?

(2R)-3-[2-[5-carboxypentyl(methyl)azaniumyl]ethylamino]-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-oxopropane-1-sulfonate;(2R)-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-methylazaniumyl]ethylamino]-3-oxopropane-1-sulfonate;3-[12-[(E)-2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutoxy]phenyl]ethenyl]-2,2-difluoro-10-methyl-4-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-6-yl]propyl-trimethylazanium;tris(2,2,2-trifluoroacetate) has a molecular weight of 2953.61 g/mol, XLogP of 11.72, 64 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-[2-[5-carboxypentyl(methyl)azaniumyl]ethylamino]-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-oxopropane-1-sulfonate;(2R)-2-[4-[4-[(E)-2-[2,2-difluoro-6-methyl-12-thiophen-2-yl-10-[3-(trimethylazaniumyl)propyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]butanoylamino]-3-[2-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-methylazaniumyl]ethylamino]-3-oxopropane-1-sulfonate;3-[12-[(E)-2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutoxy]phenyl]ethenyl]-2,2-difluoro-10-methyl-4-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-6-yl]propyl-trimethylazanium;tris(2,2,2-trifluoroacetate) is sourced from PubChem (CID 158586230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).