[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] 2-acetyloxypropanoate;[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] 2-hydroxypropanoate;[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] octadecanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate

C144H234N20O56S5 — CID 162132884

IUPAC[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] 2-acetyloxypropanoate;[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] 2-hydroxypropanoate;[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] octadecanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate
SMILESCC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(CNC(C)(C)C)COc1nsnc1N1CCOCC1.CC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(CNC(C)(C)C)COc1nsnc1N1CCOCC1.CC(O)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(CNC(C)(C)C)COc1nsnc1N1CCOCC1.CC(O)C(=O)OC(C)C(=O)OC(C)C(=O)OC(CNC(C)(C)C)COc1nsnc1N1CCOCC1.CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(CNC(C)(C)C)COc1nsnc1N1CCOCC1
InChIInChI=1S/C40H70N4O10S.C30H46N4O14S.C28H44N4O13S.C24H38N4O10S.C22H36N4O9S/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(45)51-30(2)37(46)52-31(3)38(47)53-32(4)39(48)54-33(28-41-40(5,6)7)29-50-36-35(42-55-43-36)44-24-26-49-27-25-44;1-16(43-21(6)35)25(36)44-17(2)26(37)45-18(3)27(38)46-19(4)28(39)47-20(5)29(40)48-22(14-31-30(7,8)9)15-42-24-23(32-49-33-24)34-10-12-41-13-11-34;1-15(33)23(34)41-16(2)24(35)42-17(3)25(36)43-18(4)26(37)44-19(5)27(38)45-20(13-29-28(6,7)8)14-40-22-21(30-46-31-22)32-9-11-39-12-10-32;1-14(35-17(4)29)21(30)36-15(2)22(31)37-16(3)23(32)38-18(12-25-24(5,6)7)13-34-20-19(26-39-27-20)28-8-10-33-11-9-28;1-13(27)19(28)33-14(2)20(29)34-15(3)21(30)35-16(11-23-22(4,5)6)12-32-18-17(24-36-25-18)26-7-9-31-10-8-26/h30-33,41H,8-29H2,1-7H3;16-20,22,31H,10-15H2,1-9H3;15-20,29,33H,9-14H2,1-8H3;14-16,18,25H,8-13H2,1-7H3;13-16,23,27H,7-12H2,1-6H3
InChIKeyZIWXMWLMBOTVSM-UHFFFAOYSA-N
MW3301.87 g/mol
LogP9.17
Rot. Bonds87

About [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] 2-acetyloxypropanoate;[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] 2-hydroxypropanoate;[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] octadecanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate

[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] 2-acetyloxypropanoate;[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] 2-hydroxypropanoate;[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] octadecanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate (PubChem CID 162132884) has the molecular formula C144H234N20O56S5 and a molecular weight of 3301.87 g/mol. Its IUPAC name is [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] 2-acetyloxypropanoate;[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] 2-hydroxypropanoate;[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] octadecanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate.

Molecular Properties

Compound Name[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] 2-acetyloxypropanoate;[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] 2-hydroxypropanoate;[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] octadecanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate
PubChem CID162132884
Molecular FormulaC144H234N20O56S5
Molecular Weight3301.87 g/mol
Exact Mass3299.47
IUPAC Name[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] 2-acetyloxypropanoate;[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] 2-hydroxypropanoate;[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] octadecanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate
SMILESCC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(CNC(C)(C)C)COc1nsnc1N1CCOCC1.CC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(CNC(C)(C)C)COc1nsnc1N1CCOCC1.CC(O)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(CNC(C)(C)C)COc1nsnc1N1CCOCC1.CC(O)C(=O)OC(C)C(=O)OC(C)C(=O)OC(CNC(C)(C)C)COc1nsnc1N1CCOCC1.CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(CNC(C)(C)C)COc1nsnc1N1CCOCC1
InChIInChI=1S/C40H70N4O10S.C30H46N4O14S.C28H44N4O13S.C24H38N4O10S.C22H36N4O9S/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(45)51-30(2)37(46)52-31(3)38(47)53-32(4)39(48)54-33(28-41-40(5,6)7)29-50-36-35(42-55-43-36)44-24-26-49-27-25-44;1-16(43-21(6)35)25(36)44-17(2)26(37)45-18(3)27(38)46-19(4)28(39)47-20(5)29(40)48-22(14-31-30(7,8)9)15-42-24-23(32-49-33-24)34-10-12-41-13-11-34;1-15(33)23(34)41-16(2)24(35)42-17(3)25(36)43-18(4)26(37)44-19(5)27(38)45-20(13-29-28(6,7)8)14-40-22-21(30-46-31-22)32-9-11-39-12-10-32;1-14(35-17(4)29)21(30)36-15(2)22(31)37-16(3)23(32)38-18(12-25-24(5,6)7)13-34-20-19(26-39-27-20)28-8-10-33-11-9-28;1-13(27)19(28)33-14(2)20(29)34-15(3)21(30)35-16(11-23-22(4,5)6)12-32-18-17(24-36-25-18)26-7-9-31-10-8-26/h30-33,41H,8-29H2,1-7H3;16-20,22,31H,10-15H2,1-9H3;15-20,29,33H,9-14H2,1-8H3;14-16,18,25H,8-13H2,1-7H3;13-16,23,27H,7-12H2,1-6H3
InChIKeyZIWXMWLMBOTVSM-UHFFFAOYSA-N
XLogP9.17
TPSA916.61 Ų
H-Bond Donors7
H-Bond Acceptors81
Rotatable Bonds87
Heavy Atoms225
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003301.87
LogP ≤ 59.17
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1081

Computed Properties (RDKit)

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

Analyze [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] 2-acetyloxypropanoate;[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] 2-hydroxypropanoate;[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] octadecanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate with MolForge

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Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [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] 2-acetyloxypropanoate;[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] 2-hydroxypropanoate;[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] octadecanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate?
The IUPAC name of [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] 2-acetyloxypropanoate;[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] 2-hydroxypropanoate;[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] octadecanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate (CID 162132884) is [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] 2-acetyloxypropanoate;[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] 2-hydroxypropanoate;[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] octadecanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate.
What is the SMILES notation for [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] 2-acetyloxypropanoate;[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] 2-hydroxypropanoate;[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] octadecanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate?
The canonical SMILES for [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] 2-acetyloxypropanoate;[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] 2-hydroxypropanoate;[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] octadecanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate is CC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(CNC(C)(C)C)COc1nsnc1N1CCOCC1.CC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(CNC(C)(C)C)COc1nsnc1N1CCOCC1.CC(O)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(CNC(C)(C)C)COc1nsnc1N1CCOCC1.CC(O)C(=O)OC(C)C(=O)OC(C)C(=O)OC(CNC(C)(C)C)COc1nsnc1N1CCOCC1.CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(CNC(C)(C)C)COc1nsnc1N1CCOCC1.
What is the InChIKey of [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] 2-acetyloxypropanoate;[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] 2-hydroxypropanoate;[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] octadecanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate?
The InChIKey is ZIWXMWLMBOTVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H70N4O10S.C30H46N4O14S.C28H44N4O13S.C24H38N4O10S.C22H36N4O9S/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(45)51-30(2)37(46)52-31(3)38(47)53-32(4)39(48)54-33(28-41-40(5,6)7)29-50-36-35(42-55-43-36)44-24-26-49-27-25-44;1-16(43-21(6)35)25(36)44-17(2)26(37)45-18(3)27(38)46-19(4)28(39)47-20(5)29(40)48-22(14-31-30(7,8)9)15-42-24-23(32-49-33-24)34-10-12-41-13-11-34;1-15(33)23(34)41-16(2)24(35)42-17(3)25(36)43-18(4)26(37)44-19(5)27(38)45-20(13-29-28(6,7)8)14-40-22-21(30-46-31-22)32-9-11-39-12-10-32;1-14(35-17(4)29)21(30)36-15(2)22(31)37-16(3)23(32)38-18(12-25-24(5,6)7)13-34-20-19(26-39-27-20)28-8-10-33-11-9-28;1-13(27)19(28)33-14(2)20(29)34-15(3)21(30)35-16(11-23-22(4,5)6)12-32-18-17(24-36-25-18)26-7-9-31-10-8-26/h30-33,41H,8-29H2,1-7H3;16-20,22,31H,10-15H2,1-9H3;15-20,29,33H,9-14H2,1-8H3;14-16,18,25H,8-13H2,1-7H3;13-16,23,27H,7-12H2,1-6H3.
What are the key properties of [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] 2-acetyloxypropanoate;[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] 2-hydroxypropanoate;[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] octadecanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate?
[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] 2-acetyloxypropanoate;[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] 2-hydroxypropanoate;[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] octadecanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate has a molecular weight of 3301.87 g/mol, XLogP of 9.17, 87 rotatable bonds, 7 hydrogen bond donors, and 81 hydrogen bond acceptors.
Where does this data come from?
All data for [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] 2-acetyloxypropanoate;[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] 2-hydroxypropanoate;[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] octadecanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[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]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate is sourced from PubChem (CID 162132884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).