6-O-[1-[1-[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-[1-[1-[[(4R,6R)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-oxo-1-[1-oxo-1-[1-oxo-1-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylamino]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl] hexanedioate

C139H185N21O43S6 — CID 161033448

About 6-O-[1-[1-[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-[1-[1-[[(4R,6R)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-oxo-1-[1-oxo-1-[1-oxo-1-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylamino]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl] hexanedioate

6-O-[1-[1-[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-[1-[1-[[(4R,6R)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-oxo-1-[1-oxo-1-[1-oxo-1-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylamino]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl] hexanedioate (PubChem CID 161033448) has the molecular formula C139H185N21O43S6 and a molecular weight of 3030.51 g/mol. Its IUPAC name is 6-O-[1-[1-[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-[1-[1-[[(4R,6R)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-oxo-1-[1-oxo-1-[1-oxo-1-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylamino]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl] hexanedioate.

Molecular Properties

• Compound Name: 6-O-[1-[1-[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-[1-[1-[[(4R,6R)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-oxo-1-[1-oxo-1-[1-oxo-1-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylamino]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl] hexanedioate
• PubChem CID: 161033448
• Molecular Formula: C139H185N21O43S6
• Molecular Weight: 3030.51 g/mol
• Exact Mass: 3028.13
• IUPAC Name: 6-O-[1-[1-[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-[1-[1-[[(4R,6R)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-oxo-1-[1-oxo-1-[1-oxo-1-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylamino]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl] hexanedioate
• SMILES: CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(OC(=O)CCCCC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)NS(=O)(=O)c4nnc(CC(C)=O)s4)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(OC(=O)CCCCC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(CNC(C)(C)C)COc4nsnc4N4CCOCC4)cc32)c1C.CCN[C@@H]1C[C@@H](C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)CCCCC(=O)Oc3ccc4c(c3)/C(=C/c3[nH]c(C)c(C(=O)NCCN(CC)CC)c3C)C(=O)N4)cc21
• InChI: InChI=1S/C50H70N8O14S.C47H62N6O15S3.C42H53N7O14S2/c1-11-57(12-2)20-19-51-45(62)42-29(3)39(53-30(42)4)26-37-36-25-34(17-18-38(36)54-44(37)61)71-41(60)16-14-13-15-40(59)68-31(5)47(63)69-32(6)48(64)70-33(7)49(65)72-35(27-52-50(8,9)10)28-67-46-43(55-73-56-46)58-21-23-66-24-22-58;1-10-48-37-21-25(4)70(61,62)47-34(37)24-40(69-47)71(63,64)52-42(56)28(7)66-46(60)30(9)67-45(59)29(8)65-38(54)15-13-14-16-39(55)68-31-17-18-35-32(22-31)33(43(57)51-35)23-36-26(5)41(27(6)50-36)44(58)49-19-20-53(11-2)12-3;1-9-49(10-2)18-17-43-39(55)36-23(4)32(44-24(36)5)21-30-29-20-28(15-16-31(29)45-38(30)54)63-35(52)14-12-11-13-34(51)60-26(7)40(56)62-27(8)41(57)61-25(6)37(53)48-65(58,59)42-47-46-33(64-42)19-22(3)50/h17-18,25-26,31-33,35,52-53H,11-16,19-24,27-28H2,1-10H3,(H,51,62)(H,54,61);17-18,22-25,28-30,37,48,50H,10-16,19-21H2,1-9H3,(H,49,58)(H,51,57)(H,52,56);15-16,20-21,25-27,44H,9-14,17-19H2,1-8H3,(H,43,55)(H,45,54)(H,48,53)/b37-26-;33-23-;30-21-/t;25-,28?,29?,30?,37-;/m.1./s1
• InChIKey: TZXYJJMXIADJHT-SJFUPSLLSA-N
• XLogP: 11.71
• TPSA: 848.60 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 56
• Rotatable Bonds: 72
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3030.51
LogP ≤ 5	11.71
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-O-[1-[1-[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-[1-[1-[[(4R,6R)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-oxo-1-[1-oxo-1-[1-oxo-1-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylamino]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl] hexanedioate?

The IUPAC name of 6-O-[1-[1-[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-[1-[1-[[(4R,6R)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-oxo-1-[1-oxo-1-[1-oxo-1-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylamino]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl] hexanedioate (CID 161033448) is 6-O-[1-[1-[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-[1-[1-[[(4R,6R)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-oxo-1-[1-oxo-1-[1-oxo-1-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylamino]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl] hexanedioate.

What is the SMILES notation for 6-O-[1-[1-[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-[1-[1-[[(4R,6R)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-oxo-1-[1-oxo-1-[1-oxo-1-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylamino]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl] hexanedioate?

The canonical SMILES for 6-O-[1-[1-[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-[1-[1-[[(4R,6R)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-oxo-1-[1-oxo-1-[1-oxo-1-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylamino]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl] hexanedioate is CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(OC(=O)CCCCC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)NS(=O)(=O)c4nnc(CC(C)=O)s4)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(OC(=O)CCCCC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(CNC(C)(C)C)COc4nsnc4N4CCOCC4)cc32)c1C.CCN[C@@H]1C[C@@H](C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)CCCCC(=O)Oc3ccc4c(c3)/C(=C/c3[nH]c(C)c(C(=O)NCCN(CC)CC)c3C)C(=O)N4)cc21.

What is the InChIKey of 6-O-[1-[1-[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-[1-[1-[[(4R,6R)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-oxo-1-[1-oxo-1-[1-oxo-1-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylamino]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl] hexanedioate?

The InChIKey is TZXYJJMXIADJHT-SJFUPSLLSA-N. The full InChI is InChI=1S/C50H70N8O14S.C47H62N6O15S3.C42H53N7O14S2/c1-11-57(12-2)20-19-51-45(62)42-29(3)39(53-30(42)4)26-37-36-25-34(17-18-38(36)54-44(37)61)71-41(60)16-14-13-15-40(59)68-31(5)47(63)69-32(6)48(64)70-33(7)49(65)72-35(27-52-50(8,9)10)28-67-46-43(55-73-56-46)58-21-23-66-24-22-58;1-10-48-37-21-25(4)70(61,62)47-34(37)24-40(69-47)71(63,64)52-42(56)28(7)66-46(60)30(9)67-45(59)29(8)65-38(54)15-13-14-16-39(55)68-31-17-18-35-32(22-31)33(43(57)51-35)23-36-26(5)41(27(6)50-36)44(58)49-19-20-53(11-2)12-3;1-9-49(10-2)18-17-43-39(55)36-23(4)32(44-24(36)5)21-30-29-20-28(15-16-31(29)45-38(30)54)63-35(52)14-12-11-13-34(51)60-26(7)40(56)62-27(8)41(57)61-25(6)37(53)48-65(58,59)42-47-46-33(64-42)19-22(3)50/h17-18,25-26,31-33,35,52-53H,11-16,19-24,27-28H2,1-10H3,(H,51,62)(H,54,61);17-18,22-25,28-30,37,48,50H,10-16,19-21H2,1-9H3,(H,49,58)(H,51,57)(H,52,56);15-16,20-21,25-27,44H,9-14,17-19H2,1-8H3,(H,43,55)(H,45,54)(H,48,53)/b37-26-;33-23-;30-21-/t;25-,28?,29?,30?,37-;/m.1./s1.

What are the key properties of 6-O-[1-[1-[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-[1-[1-[[(4R,6R)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-oxo-1-[1-oxo-1-[1-oxo-1-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylamino]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl] hexanedioate?

6-O-[1-[1-[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-[1-[1-[[(4R,6R)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-oxo-1-[1-oxo-1-[1-oxo-1-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylamino]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl] hexanedioate has a molecular weight of 3030.51 g/mol, XLogP of 11.71, 72 rotatable bonds, 13 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for 6-O-[1-[1-[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-[1-[1-[[(4R,6R)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylamino]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] hexanedioate;1-O-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl] 6-O-[1-oxo-1-[1-oxo-1-[1-oxo-1-[[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]sulfonylamino]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl] hexanedioate is sourced from PubChem (CID 161033448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).