2-amino-2-(4-hydroxyphenyl)-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]acetamide;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-2-(cyclopentylamino)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-2,32-dioxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxo-2-propan-2-yliminotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(5E,7E,9E,11E,13E,15E,21E,25E,27E,29E)-17,19-dihydroxy-18,20,30-trimethyl-2-(2-methyl-1,3-dioxolan-2-yl)-31-oxodotriaconta-5,7,9,11,13,15,21,25,27,29-decaen-3-yl] hydrogen sulfate;2-[(8E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,22-dienyl]guanidine;bis(2-[(E)-4,6,10,12-tetrahydroxy-13-[3-[(E)-1,3,5,9,11-pentahydroxytridec-7-enyl]oxiran-2-yl]tridec-8-enyl]guanidine)

C282H459N15O71S4 — CID 160786048

About 2-amino-2-(4-hydroxyphenyl)-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]acetamide;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-2-(cyclopentylamino)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-2,32-dioxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxo-2-propan-2-yliminotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(5E,7E,9E,11E,13E,15E,21E,25E,27E,29E)-17,19-dihydroxy-18,20,30-trimethyl-2-(2-methyl-1,3-dioxolan-2-yl)-31-oxodotriaconta-5,7,9,11,13,15,21,25,27,29-decaen-3-yl] hydrogen sulfate;2-[(8E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,22-dienyl]guanidine;bis(2-[(E)-4,6,10,12-tetrahydroxy-13-[3-[(E)-1,3,5,9,11-pentahydroxytridec-7-enyl]oxiran-2-yl]tridec-8-enyl]guanidine)

2-amino-2-(4-hydroxyphenyl)-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]acetamide;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-2-(cyclopentylamino)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-2,32-dioxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxo-2-propan-2-yliminotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(5E,7E,9E,11E,13E,15E,21E,25E,27E,29E)-17,19-dihydroxy-18,20,30-trimethyl-2-(2-methyl-1,3-dioxolan-2-yl)-31-oxodotriaconta-5,7,9,11,13,15,21,25,27,29-decaen-3-yl] hydrogen sulfate;2-[(8E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,22-dienyl]guanidine;bis(2-[(E)-4,6,10,12-tetrahydroxy-13-[3-[(E)-1,3,5,9,11-pentahydroxytridec-7-enyl]oxiran-2-yl]tridec-8-enyl]guanidine) (PubChem CID 160786048) has the molecular formula C282H459N15O71S4 and a molecular weight of 5324.08 g/mol. Its IUPAC name is 2-amino-2-(4-hydroxyphenyl)-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]acetamide;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-2-(cyclopentylamino)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-2,32-dioxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxo-2-propan-2-yliminotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(5E,7E,9E,11E,13E,15E,21E,25E,27E,29E)-17,19-dihydroxy-18,20,30-trimethyl-2-(2-methyl-1,3-dioxolan-2-yl)-31-oxodotriaconta-5,7,9,11,13,15,21,25,27,29-decaen-3-yl] hydrogen sulfate;2-[(8E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,22-dienyl]guanidine;bis(2-[(E)-4,6,10,12-tetrahydroxy-13-[3-[(E)-1,3,5,9,11-pentahydroxytridec-7-enyl]oxiran-2-yl]tridec-8-enyl]guanidine).

Molecular Properties

• Compound Name: 2-amino-2-(4-hydroxyphenyl)-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]acetamide;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-2-(cyclopentylamino)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-2,32-dioxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxo-2-propan-2-yliminotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(5E,7E,9E,11E,13E,15E,21E,25E,27E,29E)-17,19-dihydroxy-18,20,30-trimethyl-2-(2-methyl-1,3-dioxolan-2-yl)-31-oxodotriaconta-5,7,9,11,13,15,21,25,27,29-decaen-3-yl] hydrogen sulfate;2-[(8E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,22-dienyl]guanidine;bis(2-[(E)-4,6,10,12-tetrahydroxy-13-[3-[(E)-1,3,5,9,11-pentahydroxytridec-7-enyl]oxiran-2-yl]tridec-8-enyl]guanidine)
• PubChem CID: 160786048
• Molecular Formula: C282H459N15O71S4
• Molecular Weight: 5324.08 g/mol
• Exact Mass: 5320.17
• IUPAC Name: 2-amino-2-(4-hydroxyphenyl)-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]acetamide;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-2-(cyclopentylamino)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-2,32-dioxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxo-2-propan-2-yliminotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(5E,7E,9E,11E,13E,15E,21E,25E,27E,29E)-17,19-dihydroxy-18,20,30-trimethyl-2-(2-methyl-1,3-dioxolan-2-yl)-31-oxodotriaconta-5,7,9,11,13,15,21,25,27,29-decaen-3-yl] hydrogen sulfate;2-[(8E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,22-dienyl]guanidine;bis(2-[(E)-4,6,10,12-tetrahydroxy-13-[3-[(E)-1,3,5,9,11-pentahydroxytridec-7-enyl]oxiran-2-yl]tridec-8-enyl]guanidine)
• SMILES: CC(=O)/C(C)=C/C=C/C=C/CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(OS(=O)(=O)O)C(C)/C(C)=N/C(C)C.CC(=O)/C(C)=C/C=C/C=C/CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(OS(=O)(=O)O)C(C)C(C)=O.CC(=O)/C(C)=C/C=C/C=C/CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(OS(=O)(=O)O)C(C)C(C)NC1CCCC1.CC(=O)/C(C)=C/C=C/C=C/CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(OS(=O)(=O)O)C(C)C1(C)OCCO1.CCC(O)CC(O)/C=C/CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)/C=C/CC(O)CC(O)CCC/N=C(\N)NC(=O)C(N)c1ccc(O)cc1.CCC(O)CC(O)/C=C/CC(O)CC(O)CC(O)C1OC1CC(O)CC(O)/C=C/CC(O)CC(O)CCCN=C(N)N.CCC(O)CC(O)/C=C/CC(O)CC(O)CC(O)C1OC1CC(O)CC(O)/C=C/CC(O)CC(O)CCCN=C(N)N.CCC(O)CC(O)/C=C/CC(O)CC(O)CC(O)CCCC(O)CC(O)/C=C/CC(O)CC(O)CCCN=C(N)N
• InChI: InChI=1S/C42H63NO7S.C40H59NO7S.C39H56O9S.C37H62N4O11.C37H52O8S.2C29H55N3O10.C29H57N3O9/c1-33(38(6)44)27-21-17-13-12-14-18-22-28-34(2)42(46)36(4)40(45)31-23-19-15-10-8-7-9-11-16-20-24-32-41(50-51(47,48)49)35(3)37(5)43-39-29-25-26-30-39;1-31(2)41-36(7)34(5)39(48-49(45,46)47)30-26-22-18-13-11-9-10-12-17-21-25-29-38(43)35(6)40(44)33(4)28-24-20-16-14-15-19-23-27-32(3)37(8)42;1-31(35(5)40)25-21-17-13-12-14-18-22-26-32(2)38(42)33(3)36(41)27-23-19-15-10-8-7-9-11-16-20-24-28-37(48-49(43,44)45)34(4)39(6)46-29-30-47-39;1-2-25(42)19-27(44)7-3-11-31(48)22-34(51)23-32(49)12-5-10-29(46)20-28(45)8-4-9-30(47)21-33(50)13-6-18-40-37(39)41-36(52)35(38)24-14-16-26(43)17-15-24;1-29(33(5)38)25-21-17-13-12-14-18-22-26-30(2)37(41)32(4)35(40)27-23-19-15-10-8-7-9-11-16-20-24-28-36(31(3)34(6)39)45-46(42,43)44;2*1-2-18(33)12-19(34)6-3-8-21(36)14-24(39)16-26(41)28-27(42-28)17-25(40)15-22(37)9-4-7-20(35)13-23(38)10-5-11-32-29(30)31;1-2-20(33)15-21(34)7-3-11-25(38)18-28(41)19-26(39)12-5-10-23(36)16-22(35)8-4-9-24(37)17-27(40)13-6-14-32-29(30)31/h7-13,15-17,19-24,27-28,31,34-37,39-43,45-46H,14,18,25-26,29-30,32H2,1-6H3,(H,47,48,49);9-15,17-19,21-29,31,33-35,38-40,43-44H,16,20,30H2,1-8H3,(H,45,46,47);7-13,15-17,19-27,32-34,36-38,41-42H,14,18,28-30H2,1-6H3,(H,43,44,45);3-5,7-8,12,14-17,25,27-35,42-51H,2,6,9-11,13,18-23,38H2,1H3,(H3,39,40,41,52);7-13,15-17,19-27,30-32,35-37,40-41H,14,18,28H2,1-6H3,(H,42,43,44);2*3-4,6,9,18-28,33-41H,2,5,7-8,10-17H2,1H3,(H4,30,31,32);3-4,7-8,20-28,33-41H,2,5-6,9-19H2,1H3,(H4,30,31,32)/b9-7+,10-8+,13-12+,16-11+,19-15+,21-17+,24-20+,28-22+,31-23+,33-27+;11-9+,12-10+,15-14+,18-13+,21-17+,23-19+,26-22+,28-24+,29-25+,32-27+,41-36+;9-7+,10-8+,13-12+,16-11+,19-15+,21-17+,24-20+,26-22+,27-23+,31-25+;7-3+,8-4+,12-5+;9-7+,10-8+,13-12+,16-11+,19-15+,21-17+,24-20+,26-22+,27-23+,29-25+;2*6-3+,9-4+;7-3+,8-4+
• InChIKey: SBFJGVNHVKCXPQ-UVQCPREPSA-N
• XLogP: 28.37
• TPSA: 1604.71 Ų
• H-Bond Donors: 59
• H-Bond Acceptors: 74
• Rotatable Bonds: 190
• Heavy Atoms: 372
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5324.08
LogP ≤ 5	28.37
H-Bond Donors ≤ 5	59
H-Bond Acceptors ≤ 10	74

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-hydroxyphenyl)-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]acetamide;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-2-(cyclopentylamino)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-2,32-dioxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxo-2-propan-2-yliminotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(5E,7E,9E,11E,13E,15E,21E,25E,27E,29E)-17,19-dihydroxy-18,20,30-trimethyl-2-(2-methyl-1,3-dioxolan-2-yl)-31-oxodotriaconta-5,7,9,11,13,15,21,25,27,29-decaen-3-yl] hydrogen sulfate;2-[(8E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,22-dienyl]guanidine;bis(2-[(E)-4,6,10,12-tetrahydroxy-13-[3-[(E)-1,3,5,9,11-pentahydroxytridec-7-enyl]oxiran-2-yl]tridec-8-enyl]guanidine)?

The IUPAC name of 2-amino-2-(4-hydroxyphenyl)-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]acetamide;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-2-(cyclopentylamino)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-2,32-dioxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxo-2-propan-2-yliminotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(5E,7E,9E,11E,13E,15E,21E,25E,27E,29E)-17,19-dihydroxy-18,20,30-trimethyl-2-(2-methyl-1,3-dioxolan-2-yl)-31-oxodotriaconta-5,7,9,11,13,15,21,25,27,29-decaen-3-yl] hydrogen sulfate;2-[(8E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,22-dienyl]guanidine;bis(2-[(E)-4,6,10,12-tetrahydroxy-13-[3-[(E)-1,3,5,9,11-pentahydroxytridec-7-enyl]oxiran-2-yl]tridec-8-enyl]guanidine) (CID 160786048) is 2-amino-2-(4-hydroxyphenyl)-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]acetamide;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-2-(cyclopentylamino)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-2,32-dioxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxo-2-propan-2-yliminotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(5E,7E,9E,11E,13E,15E,21E,25E,27E,29E)-17,19-dihydroxy-18,20,30-trimethyl-2-(2-methyl-1,3-dioxolan-2-yl)-31-oxodotriaconta-5,7,9,11,13,15,21,25,27,29-decaen-3-yl] hydrogen sulfate;2-[(8E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,22-dienyl]guanidine;bis(2-[(E)-4,6,10,12-tetrahydroxy-13-[3-[(E)-1,3,5,9,11-pentahydroxytridec-7-enyl]oxiran-2-yl]tridec-8-enyl]guanidine).

What is the SMILES notation for 2-amino-2-(4-hydroxyphenyl)-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]acetamide;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-2-(cyclopentylamino)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-2,32-dioxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxo-2-propan-2-yliminotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(5E,7E,9E,11E,13E,15E,21E,25E,27E,29E)-17,19-dihydroxy-18,20,30-trimethyl-2-(2-methyl-1,3-dioxolan-2-yl)-31-oxodotriaconta-5,7,9,11,13,15,21,25,27,29-decaen-3-yl] hydrogen sulfate;2-[(8E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,22-dienyl]guanidine;bis(2-[(E)-4,6,10,12-tetrahydroxy-13-[3-[(E)-1,3,5,9,11-pentahydroxytridec-7-enyl]oxiran-2-yl]tridec-8-enyl]guanidine)?

The canonical SMILES for 2-amino-2-(4-hydroxyphenyl)-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]acetamide;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-2-(cyclopentylamino)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-2,32-dioxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxo-2-propan-2-yliminotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(5E,7E,9E,11E,13E,15E,21E,25E,27E,29E)-17,19-dihydroxy-18,20,30-trimethyl-2-(2-methyl-1,3-dioxolan-2-yl)-31-oxodotriaconta-5,7,9,11,13,15,21,25,27,29-decaen-3-yl] hydrogen sulfate;2-[(8E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,22-dienyl]guanidine;bis(2-[(E)-4,6,10,12-tetrahydroxy-13-[3-[(E)-1,3,5,9,11-pentahydroxytridec-7-enyl]oxiran-2-yl]tridec-8-enyl]guanidine) is CC(=O)/C(C)=C/C=C/C=C/CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(OS(=O)(=O)O)C(C)/C(C)=N/C(C)C.CC(=O)/C(C)=C/C=C/C=C/CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(OS(=O)(=O)O)C(C)C(C)=O.CC(=O)/C(C)=C/C=C/C=C/CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(OS(=O)(=O)O)C(C)C(C)NC1CCCC1.CC(=O)/C(C)=C/C=C/C=C/CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(OS(=O)(=O)O)C(C)C1(C)OCCO1.CCC(O)CC(O)/C=C/CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)/C=C/CC(O)CC(O)CCC/N=C(\N)NC(=O)C(N)c1ccc(O)cc1.CCC(O)CC(O)/C=C/CC(O)CC(O)CC(O)C1OC1CC(O)CC(O)/C=C/CC(O)CC(O)CCCN=C(N)N.CCC(O)CC(O)/C=C/CC(O)CC(O)CC(O)C1OC1CC(O)CC(O)/C=C/CC(O)CC(O)CCCN=C(N)N.CCC(O)CC(O)/C=C/CC(O)CC(O)CC(O)CCCC(O)CC(O)/C=C/CC(O)CC(O)CCCN=C(N)N.

What is the InChIKey of 2-amino-2-(4-hydroxyphenyl)-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]acetamide;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-2-(cyclopentylamino)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-2,32-dioxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxo-2-propan-2-yliminotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(5E,7E,9E,11E,13E,15E,21E,25E,27E,29E)-17,19-dihydroxy-18,20,30-trimethyl-2-(2-methyl-1,3-dioxolan-2-yl)-31-oxodotriaconta-5,7,9,11,13,15,21,25,27,29-decaen-3-yl] hydrogen sulfate;2-[(8E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,22-dienyl]guanidine;bis(2-[(E)-4,6,10,12-tetrahydroxy-13-[3-[(E)-1,3,5,9,11-pentahydroxytridec-7-enyl]oxiran-2-yl]tridec-8-enyl]guanidine)?

The InChIKey is SBFJGVNHVKCXPQ-UVQCPREPSA-N. The full InChI is InChI=1S/C42H63NO7S.C40H59NO7S.C39H56O9S.C37H62N4O11.C37H52O8S.2C29H55N3O10.C29H57N3O9/c1-33(38(6)44)27-21-17-13-12-14-18-22-28-34(2)42(46)36(4)40(45)31-23-19-15-10-8-7-9-11-16-20-24-32-41(50-51(47,48)49)35(3)37(5)43-39-29-25-26-30-39;1-31(2)41-36(7)34(5)39(48-49(45,46)47)30-26-22-18-13-11-9-10-12-17-21-25-29-38(43)35(6)40(44)33(4)28-24-20-16-14-15-19-23-27-32(3)37(8)42;1-31(35(5)40)25-21-17-13-12-14-18-22-26-32(2)38(42)33(3)36(41)27-23-19-15-10-8-7-9-11-16-20-24-28-37(48-49(43,44)45)34(4)39(6)46-29-30-47-39;1-2-25(42)19-27(44)7-3-11-31(48)22-34(51)23-32(49)12-5-10-29(46)20-28(45)8-4-9-30(47)21-33(50)13-6-18-40-37(39)41-36(52)35(38)24-14-16-26(43)17-15-24;1-29(33(5)38)25-21-17-13-12-14-18-22-26-30(2)37(41)32(4)35(40)27-23-19-15-10-8-7-9-11-16-20-24-28-36(31(3)34(6)39)45-46(42,43)44;2*1-2-18(33)12-19(34)6-3-8-21(36)14-24(39)16-26(41)28-27(42-28)17-25(40)15-22(37)9-4-7-20(35)13-23(38)10-5-11-32-29(30)31;1-2-20(33)15-21(34)7-3-11-25(38)18-28(41)19-26(39)12-5-10-23(36)16-22(35)8-4-9-24(37)17-27(40)13-6-14-32-29(30)31/h7-13,15-17,19-24,27-28,31,34-37,39-43,45-46H,14,18,25-26,29-30,32H2,1-6H3,(H,47,48,49);9-15,17-19,21-29,31,33-35,38-40,43-44H,16,20,30H2,1-8H3,(H,45,46,47);7-13,15-17,19-27,32-34,36-38,41-42H,14,18,28-30H2,1-6H3,(H,43,44,45);3-5,7-8,12,14-17,25,27-35,42-51H,2,6,9-11,13,18-23,38H2,1H3,(H3,39,40,41,52);7-13,15-17,19-27,30-32,35-37,40-41H,14,18,28H2,1-6H3,(H,42,43,44);2*3-4,6,9,18-28,33-41H,2,5,7-8,10-17H2,1H3,(H4,30,31,32);3-4,7-8,20-28,33-41H,2,5-6,9-19H2,1H3,(H4,30,31,32)/b9-7+,10-8+,13-12+,16-11+,19-15+,21-17+,24-20+,28-22+,31-23+,33-27+;11-9+,12-10+,15-14+,18-13+,21-17+,23-19+,26-22+,28-24+,29-25+,32-27+,41-36+;9-7+,10-8+,13-12+,16-11+,19-15+,21-17+,24-20+,26-22+,27-23+,31-25+;7-3+,8-4+,12-5+;9-7+,10-8+,13-12+,16-11+,19-15+,21-17+,24-20+,26-22+,27-23+,29-25+;2*6-3+,9-4+;7-3+,8-4+.

What are the key properties of 2-amino-2-(4-hydroxyphenyl)-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]acetamide;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-2-(cyclopentylamino)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-2,32-dioxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxo-2-propan-2-yliminotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(5E,7E,9E,11E,13E,15E,21E,25E,27E,29E)-17,19-dihydroxy-18,20,30-trimethyl-2-(2-methyl-1,3-dioxolan-2-yl)-31-oxodotriaconta-5,7,9,11,13,15,21,25,27,29-decaen-3-yl] hydrogen sulfate;2-[(8E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,22-dienyl]guanidine;bis(2-[(E)-4,6,10,12-tetrahydroxy-13-[3-[(E)-1,3,5,9,11-pentahydroxytridec-7-enyl]oxiran-2-yl]tridec-8-enyl]guanidine)?

2-amino-2-(4-hydroxyphenyl)-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]acetamide;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-2-(cyclopentylamino)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-2,32-dioxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxo-2-propan-2-yliminotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(5E,7E,9E,11E,13E,15E,21E,25E,27E,29E)-17,19-dihydroxy-18,20,30-trimethyl-2-(2-methyl-1,3-dioxolan-2-yl)-31-oxodotriaconta-5,7,9,11,13,15,21,25,27,29-decaen-3-yl] hydrogen sulfate;2-[(8E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,22-dienyl]guanidine;bis(2-[(E)-4,6,10,12-tetrahydroxy-13-[3-[(E)-1,3,5,9,11-pentahydroxytridec-7-enyl]oxiran-2-yl]tridec-8-enyl]guanidine) has a molecular weight of 5324.08 g/mol, XLogP of 28.37, 190 rotatable bonds, 59 hydrogen bond donors, and 74 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-(4-hydroxyphenyl)-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]acetamide;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-2-(cyclopentylamino)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-2,32-dioxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-32-oxo-2-propan-2-yliminotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate;[(5E,7E,9E,11E,13E,15E,21E,25E,27E,29E)-17,19-dihydroxy-18,20,30-trimethyl-2-(2-methyl-1,3-dioxolan-2-yl)-31-oxodotriaconta-5,7,9,11,13,15,21,25,27,29-decaen-3-yl] hydrogen sulfate;2-[(8E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,22-dienyl]guanidine;bis(2-[(E)-4,6,10,12-tetrahydroxy-13-[3-[(E)-1,3,5,9,11-pentahydroxytridec-7-enyl]oxiran-2-yl]tridec-8-enyl]guanidine) is sourced from PubChem (CID 160786048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).