tricopper;14-(4-ethylsulfanylbutylcarbamoyl)-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;iron(2+);14-[4-(3-methylpyridin-1-ium-1-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;16,25,33-trihydroxy-N-[4-(1H-imidazol-4-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide

C165H136Cu3FeN41O28S7+ — CID 160665825

About tricopper;14-(4-ethylsulfanylbutylcarbamoyl)-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;iron(2+);14-[4-(3-methylpyridin-1-ium-1-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;16,25,33-trihydroxy-N-[4-(1H-imidazol-4-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide

tricopper;14-(4-ethylsulfanylbutylcarbamoyl)-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;iron(2+);14-[4-(3-methylpyridin-1-ium-1-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;16,25,33-trihydroxy-N-[4-(1H-imidazol-4-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide (PubChem CID 160665825) has the molecular formula C165H136Cu3FeN41O28S7+ and a molecular weight of 3612.11 g/mol. Its IUPAC name is tricopper;14-(4-ethylsulfanylbutylcarbamoyl)-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;iron(2+);14-[4-(3-methylpyridin-1-ium-1-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;16,25,33-trihydroxy-N-[4-(1H-imidazol-4-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide.

Molecular Properties

• Compound Name: tricopper;14-(4-ethylsulfanylbutylcarbamoyl)-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;iron(2+);14-[4-(3-methylpyridin-1-ium-1-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;16,25,33-trihydroxy-N-[4-(1H-imidazol-4-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide
• PubChem CID: 160665825
• Molecular Formula: C165H136Cu3FeN41O28S7+
• Molecular Weight: 3612.11 g/mol
• Exact Mass: 3607.58
• IUPAC Name: tricopper;14-(4-ethylsulfanylbutylcarbamoyl)-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;iron(2+);14-[4-(3-methylpyridin-1-ium-1-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;16,25,33-trihydroxy-N-[4-(1H-imidazol-4-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide
• SMILES: CCSCCCCNC(=O)c1cccc2c1-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccc(S(=O)(=O)O)cc41)-c1cc(S(O)(O)O)ccc1-3)c1c2CC=C(S(O)(O)O)C1.Cc1ccc[n+](CCCCNC(=O)c2cccc3c2-c2nc-3nc3[n-]c(nc4nc(nc5[n-]c(n2)c2ccc(S(=O)(=O)O)cc52)-c2cc(S(O)(O)O)ccc2-4)c2c3CC=C(S(O)(O)O)C2)c1.O=C(NCCCCc1c[nH]cn1)c1cccc2c1-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccc(O)cc41)-c1cc(O)ccc1-3)c1c2CC=C(O)C1.O=C(NCCCCc1cnc[nH]1)c1cccc2c1-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccc(CO)cc41)-c1cc(CO)ccc1-3)c1c2CC=C(CO)C1.[Cu+2].[Cu+2].[Cu+2].[Fe+2]
• InChI: InChI=1S/C43H36N11O4.C43H38N10O10S3.C40H30N11O4.C39H36N9O10S4.3Cu.Fe/c55-18-22-7-10-26-31(14-22)39-48-35(26)47-38-29-5-3-6-30(43(58)45-13-2-1-4-25-17-44-21-46-25)34(29)42(54-38)53-37-28-12-9-24(20-57)16-33(28)41(51-37)52-40-32-15-23(19-56)8-11-27(32)36(49-39)50-40;1-22-6-5-17-53(21-22)16-3-2-15-44-43(54)30-8-4-7-29-34(30)42-51-37-28-14-11-25(66(61,62)63)20-33(28)41(49-37)50-40-32-19-24(65(58,59)60)10-13-27(32)36(48-40)47-39-31-18-23(64(55,56)57)9-12-26(31)35(46-39)45-38(29)52-42;52-20-7-10-23-28(14-20)36-45-32(23)44-35-26-5-3-6-27(40(55)42-13-2-1-4-19-17-41-18-43-19)31(26)39(51-35)50-34-25-12-9-22(54)16-30(25)38(48-34)49-37-29-15-21(53)8-11-24(29)33(46-36)47-37;1-2-59-15-4-3-14-40-39(49)26-7-5-6-25-30(26)38-47-33-24-13-10-21(62(56,57)58)18-29(24)37(45-33)46-36-28-17-20(61(53,54)55)9-12-23(28)32(44-36)43-35-27-16-19(60(50,51)52)8-11-22(27)31(42-35)41-34(25)48-38;;;;/h3,5-9,11-12,15-17,21,55-57H,1-2,4,10,13-14,18-20H2,(H3-,44,45,46,47,48,49,50,51,52,53,54,58);4-11,13-14,17,19-21H,2-3,12,15-16,18H2,1H3,(H9-,44,45,46,47,48,49,50,51,52,54,55,56,57,58,59,60,61,62,63);3,5-9,11-12,15-18H,1-2,4,10,13-14H2,(H6-,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55);5-10,12-13,17-18H,2-4,11,14-16H2,1H3,(H9-,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58);;;;/q-1;;2*-1;4*+2/p-4
• InChIKey: QXJCDPQYQMVHIM-UHFFFAOYSA-J
• XLogP: 23.93
• TPSA: 1072.68 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 53
• Rotatable Bonds: 34
• Heavy Atoms: 245
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3612.11
LogP ≤ 5	23.93
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tricopper;14-(4-ethylsulfanylbutylcarbamoyl)-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;iron(2+);14-[4-(3-methylpyridin-1-ium-1-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;16,25,33-trihydroxy-N-[4-(1H-imidazol-4-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide?

The IUPAC name of tricopper;14-(4-ethylsulfanylbutylcarbamoyl)-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;iron(2+);14-[4-(3-methylpyridin-1-ium-1-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;16,25,33-trihydroxy-N-[4-(1H-imidazol-4-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide (CID 160665825) is tricopper;14-(4-ethylsulfanylbutylcarbamoyl)-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;iron(2+);14-[4-(3-methylpyridin-1-ium-1-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;16,25,33-trihydroxy-N-[4-(1H-imidazol-4-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide.

What is the SMILES notation for tricopper;14-(4-ethylsulfanylbutylcarbamoyl)-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;iron(2+);14-[4-(3-methylpyridin-1-ium-1-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;16,25,33-trihydroxy-N-[4-(1H-imidazol-4-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide?

The canonical SMILES for tricopper;14-(4-ethylsulfanylbutylcarbamoyl)-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;iron(2+);14-[4-(3-methylpyridin-1-ium-1-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;16,25,33-trihydroxy-N-[4-(1H-imidazol-4-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide is CCSCCCCNC(=O)c1cccc2c1-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccc(S(=O)(=O)O)cc41)-c1cc(S(O)(O)O)ccc1-3)c1c2CC=C(S(O)(O)O)C1.Cc1ccc[n+](CCCCNC(=O)c2cccc3c2-c2nc-3nc3[n-]c(nc4nc(nc5[n-]c(n2)c2ccc(S(=O)(=O)O)cc52)-c2cc(S(O)(O)O)ccc2-4)c2c3CC=C(S(O)(O)O)C2)c1.O=C(NCCCCc1c[nH]cn1)c1cccc2c1-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccc(O)cc41)-c1cc(O)ccc1-3)c1c2CC=C(O)C1.O=C(NCCCCc1cnc[nH]1)c1cccc2c1-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccc(CO)cc41)-c1cc(CO)ccc1-3)c1c2CC=C(CO)C1.[Cu+2].[Cu+2].[Cu+2].[Fe+2].

What is the InChIKey of tricopper;14-(4-ethylsulfanylbutylcarbamoyl)-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;iron(2+);14-[4-(3-methylpyridin-1-ium-1-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;16,25,33-trihydroxy-N-[4-(1H-imidazol-4-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide?

The InChIKey is QXJCDPQYQMVHIM-UHFFFAOYSA-J. The full InChI is InChI=1S/C43H36N11O4.C43H38N10O10S3.C40H30N11O4.C39H36N9O10S4.3Cu.Fe/c55-18-22-7-10-26-31(14-22)39-48-35(26)47-38-29-5-3-6-30(43(58)45-13-2-1-4-25-17-44-21-46-25)34(29)42(54-38)53-37-28-12-9-24(20-57)16-33(28)41(51-37)52-40-32-15-23(19-56)8-11-27(32)36(49-39)50-40;1-22-6-5-17-53(21-22)16-3-2-15-44-43(54)30-8-4-7-29-34(30)42-51-37-28-14-11-25(66(61,62)63)20-33(28)41(49-37)50-40-32-19-24(65(58,59)60)10-13-27(32)36(48-40)47-39-31-18-23(64(55,56)57)9-12-26(31)35(46-39)45-38(29)52-42;52-20-7-10-23-28(14-20)36-45-32(23)44-35-26-5-3-6-27(40(55)42-13-2-1-4-19-17-41-18-43-19)31(26)39(51-35)50-34-25-12-9-22(54)16-30(25)38(48-34)49-37-29-15-21(53)8-11-24(29)33(46-36)47-37;1-2-59-15-4-3-14-40-39(49)26-7-5-6-25-30(26)38-47-33-24-13-10-21(62(56,57)58)18-29(24)37(45-33)46-36-28-17-20(61(53,54)55)9-12-23(28)32(44-36)43-35-27-16-19(60(50,51)52)8-11-22(27)31(42-35)41-34(25)48-38;;;;/h3,5-9,11-12,15-17,21,55-57H,1-2,4,10,13-14,18-20H2,(H3-,44,45,46,47,48,49,50,51,52,53,54,58);4-11,13-14,17,19-21H,2-3,12,15-16,18H2,1H3,(H9-,44,45,46,47,48,49,50,51,52,54,55,56,57,58,59,60,61,62,63);3,5-9,11-12,15-18H,1-2,4,10,13-14H2,(H6-,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55);5-10,12-13,17-18H,2-4,11,14-16H2,1H3,(H9-,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58);;;;/q-1;;2*-1;4*+2/p-4.

What are the key properties of tricopper;14-(4-ethylsulfanylbutylcarbamoyl)-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;iron(2+);14-[4-(3-methylpyridin-1-ium-1-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;16,25,33-trihydroxy-N-[4-(1H-imidazol-4-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide?

tricopper;14-(4-ethylsulfanylbutylcarbamoyl)-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;iron(2+);14-[4-(3-methylpyridin-1-ium-1-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;16,25,33-trihydroxy-N-[4-(1H-imidazol-4-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide has a molecular weight of 3612.11 g/mol, XLogP of 23.93, 34 rotatable bonds, 26 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for tricopper;14-(4-ethylsulfanylbutylcarbamoyl)-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;iron(2+);14-[4-(3-methylpyridin-1-ium-1-yl)butylcarbamoyl]-25,34-bis(trihydroxy-λ4-sulfanyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,24,27,29,31(36),32,34-octadecaene-6-sulfonic acid;16,25,33-trihydroxy-N-[4-(1H-imidazol-4-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide;16,25,33-tris(hydroxymethyl)-N-[4-(1H-imidazol-5-yl)butyl]-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,15,18,20,22(27),23,25,28(38),29,31(36),32,34-octadecaene-5-carboxamide is sourced from PubChem (CID 160665825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).