tert-butyl (2S)-2-[5-[4,8-dimethyl-2-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]thieno[2,3-f][1]benzothiol-6-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine-3-carboxylate;tert-butyl 4-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;tert-butyl 4-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;(13-methyl-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl) trifluoromethanesulfonate

C173H194F3N21O26S4 — CID 157112466

About tert-butyl (2S)-2-[5-[4,8-dimethyl-2-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]thieno[2,3-f][1]benzothiol-6-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine-3-carboxylate;tert-butyl 4-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;tert-butyl 4-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;(13-methyl-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl) trifluoromethanesulfonate

tert-butyl (2S)-2-[5-[4,8-dimethyl-2-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]thieno[2,3-f][1]benzothiol-6-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine-3-carboxylate;tert-butyl 4-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;tert-butyl 4-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;(13-methyl-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl) trifluoromethanesulfonate (PubChem CID 157112466) has the molecular formula C173H194F3N21O26S4 and a molecular weight of 3168.84 g/mol. Its IUPAC name is tert-butyl (2S)-2-[5-[4,8-dimethyl-2-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]thieno[2,3-f][1]benzothiol-6-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine-3-carboxylate;tert-butyl 4-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;tert-butyl 4-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;(13-methyl-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl) trifluoromethanesulfonate.

Molecular Properties

• Compound Name: tert-butyl (2S)-2-[5-[4,8-dimethyl-2-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]thieno[2,3-f][1]benzothiol-6-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine-3-carboxylate;tert-butyl 4-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;tert-butyl 4-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;(13-methyl-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl) trifluoromethanesulfonate
• PubChem CID: 157112466
• Molecular Formula: C173H194F3N21O26S4
• Molecular Weight: 3168.84 g/mol
• Exact Mass: 3166.33
• IUPAC Name: tert-butyl (2S)-2-[5-[4,8-dimethyl-2-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]thieno[2,3-f][1]benzothiol-6-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine-3-carboxylate;tert-butyl 4-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;tert-butyl 4-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;(13-methyl-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl) trifluoromethanesulfonate
• SMILES: COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3cc(-c4ccc(-c5cnc([C@@H]6SCCN6C(=O)OC(C)(C)C)[nH]5)cc4)ccc3c2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3cc(-c4ccc(C(=O)CCC(=O)OC(C)(C)C)cc4)ccc3c2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4ccc(C(=O)CCC(=O)OC(C)(C)C)cc4)ccc3c2)[nH]1)C(C)C.Cc1c2cc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)sc2c(C)c2cc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)sc12.Cc1cc2c3c(c1)OCc1cc(OS(=O)(=O)C(F)(F)F)cc(c1-3)OC2
• InChI: InChI=1S/C43H49N7O5S.C40H46N4O6.C38H44N4O6.C36H44N6O4S2.C16H11F3O5S/c1-25(2)35(48-40(52)54-6)38(51)50-24-43(15-16-43)21-34(50)36-44-23-33(46-36)31-14-13-29-19-28(11-12-30(29)20-31)26-7-9-27(10-8-26)32-22-45-37(47-32)39-49(17-18-56-39)41(53)55-42(3,4)5;1-24(2)35(43-38(48)49-6)37(47)44-23-40(17-18-40)21-32(44)36-41-22-31(42-36)30-14-13-28-19-27(11-12-29(28)20-30)25-7-9-26(10-8-25)33(45)15-16-34(46)50-39(3,4)5;1-23(2)34(41-37(46)47-6)36(45)42-19-7-8-31(42)35-39-22-30(40-35)29-16-15-27-20-26(13-14-28(27)21-29)24-9-11-25(12-10-24)32(43)17-18-33(44)48-38(3,4)5;1-19-21-15-27(23-17-37-31(39-23)25-11-9-13-41(25)33(43)45-35(3,4)5)48-30(21)20(2)22-16-28(47-29(19)22)24-18-38-32(40-24)26-12-10-14-42(26)34(44)46-36(6,7)8;1-8-2-9-6-23-13-5-11(24-25(20,21)16(17,18)19)4-10-7-22-12(3-8)14(9)15(10)13/h7-14,19-20,22-23,25,34-35,39H,15-18,21,24H2,1-6H3,(H,44,46)(H,45,47)(H,48,52);7-14,19-20,22,24,32,35H,15-18,21,23H2,1-6H3,(H,41,42)(H,43,48);9-16,20-23,31,34H,7-8,17-19H2,1-6H3,(H,39,40)(H,41,46);15-18,25-26H,9-14H2,1-8H3,(H,37,39)(H,38,40);2-5H,6-7H2,1H3/t34-,35-,39-;32-,35-;31-,34-;25-,26-;/m0000./s1
• InChIKey: AGZZQELZUPJSEV-AFGDHGPCSA-N
• XLogP: 36.92
• TPSA: 585.19 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 34
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3168.84
LogP ≤ 5	36.92
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[5-[4,8-dimethyl-2-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]thieno[2,3-f][1]benzothiol-6-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine-3-carboxylate;tert-butyl 4-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;tert-butyl 4-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;(13-methyl-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl) trifluoromethanesulfonate?

The IUPAC name of tert-butyl (2S)-2-[5-[4,8-dimethyl-2-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]thieno[2,3-f][1]benzothiol-6-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine-3-carboxylate;tert-butyl 4-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;tert-butyl 4-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;(13-methyl-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl) trifluoromethanesulfonate (CID 157112466) is tert-butyl (2S)-2-[5-[4,8-dimethyl-2-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]thieno[2,3-f][1]benzothiol-6-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine-3-carboxylate;tert-butyl 4-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;tert-butyl 4-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;(13-methyl-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl) trifluoromethanesulfonate.

What is the SMILES notation for tert-butyl (2S)-2-[5-[4,8-dimethyl-2-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]thieno[2,3-f][1]benzothiol-6-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine-3-carboxylate;tert-butyl 4-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;tert-butyl 4-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;(13-methyl-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl) trifluoromethanesulfonate?

The canonical SMILES for tert-butyl (2S)-2-[5-[4,8-dimethyl-2-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]thieno[2,3-f][1]benzothiol-6-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine-3-carboxylate;tert-butyl 4-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;tert-butyl 4-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;(13-methyl-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl) trifluoromethanesulfonate is COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3cc(-c4ccc(-c5cnc([C@@H]6SCCN6C(=O)OC(C)(C)C)[nH]5)cc4)ccc3c2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3cc(-c4ccc(C(=O)CCC(=O)OC(C)(C)C)cc4)ccc3c2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4ccc(C(=O)CCC(=O)OC(C)(C)C)cc4)ccc3c2)[nH]1)C(C)C.Cc1c2cc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)sc2c(C)c2cc(-c3cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]3)sc12.Cc1cc2c3c(c1)OCc1cc(OS(=O)(=O)C(F)(F)F)cc(c1-3)OC2.

What is the InChIKey of tert-butyl (2S)-2-[5-[4,8-dimethyl-2-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]thieno[2,3-f][1]benzothiol-6-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine-3-carboxylate;tert-butyl 4-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;tert-butyl 4-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;(13-methyl-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl) trifluoromethanesulfonate?

The InChIKey is AGZZQELZUPJSEV-AFGDHGPCSA-N. The full InChI is InChI=1S/C43H49N7O5S.C40H46N4O6.C38H44N4O6.C36H44N6O4S2.C16H11F3O5S/c1-25(2)35(48-40(52)54-6)38(51)50-24-43(15-16-43)21-34(50)36-44-23-33(46-36)31-14-13-29-19-28(11-12-30(29)20-31)26-7-9-27(10-8-26)32-22-45-37(47-32)39-49(17-18-56-39)41(53)55-42(3,4)5;1-24(2)35(43-38(48)49-6)37(47)44-23-40(17-18-40)21-32(44)36-41-22-31(42-36)30-14-13-28-19-27(11-12-29(28)20-30)25-7-9-26(10-8-25)33(45)15-16-34(46)50-39(3,4)5;1-23(2)34(41-37(46)47-6)36(45)42-19-7-8-31(42)35-39-22-30(40-35)29-16-15-27-20-26(13-14-28(27)21-29)24-9-11-25(12-10-24)32(43)17-18-33(44)48-38(3,4)5;1-19-21-15-27(23-17-37-31(39-23)25-11-9-13-41(25)33(43)45-35(3,4)5)48-30(21)20(2)22-16-28(47-29(19)22)24-18-38-32(40-24)26-12-10-14-42(26)34(44)46-36(6,7)8;1-8-2-9-6-23-13-5-11(24-25(20,21)16(17,18)19)4-10-7-22-12(3-8)14(9)15(10)13/h7-14,19-20,22-23,25,34-35,39H,15-18,21,24H2,1-6H3,(H,44,46)(H,45,47)(H,48,52);7-14,19-20,22,24,32,35H,15-18,21,23H2,1-6H3,(H,41,42)(H,43,48);9-16,20-23,31,34H,7-8,17-19H2,1-6H3,(H,39,40)(H,41,46);15-18,25-26H,9-14H2,1-8H3,(H,37,39)(H,38,40);2-5H,6-7H2,1H3/t34-,35-,39-;32-,35-;31-,34-;25-,26-;/m0000./s1.

What are the key properties of tert-butyl (2S)-2-[5-[4,8-dimethyl-2-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]thieno[2,3-f][1]benzothiol-6-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine-3-carboxylate;tert-butyl 4-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;tert-butyl 4-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;(13-methyl-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl) trifluoromethanesulfonate?

tert-butyl (2S)-2-[5-[4,8-dimethyl-2-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]thieno[2,3-f][1]benzothiol-6-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine-3-carboxylate;tert-butyl 4-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;tert-butyl 4-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;(13-methyl-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl) trifluoromethanesulfonate has a molecular weight of 3168.84 g/mol, XLogP of 36.92, 34 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S)-2-[5-[4,8-dimethyl-2-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]thieno[2,3-f][1]benzothiol-6-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine-3-carboxylate;tert-butyl 4-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;tert-butyl 4-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;(13-methyl-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl) trifluoromethanesulfonate is sourced from PubChem (CID 157112466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).