[1-[2-[[(2S)-2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[2-[[(2S)-2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate

C148H216N16O76S4 — CID 159823276

IUPAC[1-[2-[[(2S)-2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[2-[[(2S)-2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate
SMILESCC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OCC(=O)N(C[C@@H](COc1nsnc1N1CCOCC1)OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(C)=O)C(C)(C)C.CC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OCC(=O)N(C[C@@H](COc1nsnc1N1CCOCC1)OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(C)=O)C(C)(C)C.CC(=O)OC(C)C(=O)OC(C)C(=O)OCC(=O)N(C[C@@H](COc1nsnc1N1CCOCC1)OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(C)=O)C(C)(C)C.CC(=O)OC(C)C(=O)OC(C)C(=O)OCC(=O)N(C[C@@H](COc1nsnc1N1CCOCC1)OC(=O)C(C)OC(=O)C(C)OC(C)=O)C(C)(C)C
InChIInChI=1S/C43H62N4O23S.2C37H54N4O19S.C31H46N4O15S/c1-21(64-38(54)24(4)67-39(55)25(5)65-36(52)22(2)62-29(9)48)35(51)61-20-32(50)47(43(11,12)13)18-31(19-60-34-33(44-71-45-34)46-14-16-59-17-15-46)70-42(58)28(8)69-41(57)27(7)68-40(56)26(6)66-37(53)23(3)63-30(10)49;1-19(56-34(48)22(4)57-32(46)20(2)54-25(7)42)31(45)53-18-28(44)41(37(9,10)11)16-27(17-52-30-29(38-61-39-30)40-12-14-51-15-13-40)60-36(50)24(6)59-35(49)23(5)58-33(47)21(3)55-26(8)43;1-19(56-32(46)20(2)54-25(7)42)31(45)53-18-28(44)41(37(9,10)11)16-27(17-52-30-29(38-61-39-30)40-12-14-51-15-13-40)60-36(50)24(6)59-35(49)23(5)58-34(48)22(4)57-33(47)21(3)55-26(8)43;1-17(48-28(40)18(2)46-21(5)36)27(39)45-16-24(38)35(31(7,8)9)14-23(50-30(42)20(4)49-29(41)19(3)47-22(6)37)15-44-26-25(32-51-33-26)34-10-12-43-13-11-34/h21-28,31H,14-20H2,1-13H3;2*19-24,27H,12-18H2,1-11H3;17-20,23H,10-16H2,1-9H3/t21?,22?,23?,24?,25?,26?,27?,28?,31-;2*19?,20?,21?,22?,23?,24?,27-;17?,18?,19?,20?,23-/m0000/s1
InChIKeyNMMXODNNFBTKCC-WJSIGZCHSA-N
MW3563.66 g/mol
LogP1.86
Rot. Bonds84

About [1-[2-[[(2S)-2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[2-[[(2S)-2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate

[1-[2-[[(2S)-2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[2-[[(2S)-2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate (PubChem CID 159823276) has the molecular formula C148H216N16O76S4 and a molecular weight of 3563.66 g/mol. Its IUPAC name is [1-[2-[[(2S)-2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[2-[[(2S)-2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate.

Molecular Properties

Compound Name[1-[2-[[(2S)-2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[2-[[(2S)-2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate
PubChem CID159823276
Molecular FormulaC148H216N16O76S4
Molecular Weight3563.66 g/mol
Exact Mass3561.24
IUPAC Name[1-[2-[[(2S)-2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[2-[[(2S)-2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate
SMILESCC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OCC(=O)N(C[C@@H](COc1nsnc1N1CCOCC1)OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(C)=O)C(C)(C)C.CC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OCC(=O)N(C[C@@H](COc1nsnc1N1CCOCC1)OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(C)=O)C(C)(C)C.CC(=O)OC(C)C(=O)OC(C)C(=O)OCC(=O)N(C[C@@H](COc1nsnc1N1CCOCC1)OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(C)=O)C(C)(C)C.CC(=O)OC(C)C(=O)OC(C)C(=O)OCC(=O)N(C[C@@H](COc1nsnc1N1CCOCC1)OC(=O)C(C)OC(=O)C(C)OC(C)=O)C(C)(C)C
InChIInChI=1S/C43H62N4O23S.2C37H54N4O19S.C31H46N4O15S/c1-21(64-38(54)24(4)67-39(55)25(5)65-36(52)22(2)62-29(9)48)35(51)61-20-32(50)47(43(11,12)13)18-31(19-60-34-33(44-71-45-34)46-14-16-59-17-15-46)70-42(58)28(8)69-41(57)27(7)68-40(56)26(6)66-37(53)23(3)63-30(10)49;1-19(56-34(48)22(4)57-32(46)20(2)54-25(7)42)31(45)53-18-28(44)41(37(9,10)11)16-27(17-52-30-29(38-61-39-30)40-12-14-51-15-13-40)60-36(50)24(6)59-35(49)23(5)58-33(47)21(3)55-26(8)43;1-19(56-32(46)20(2)54-25(7)42)31(45)53-18-28(44)41(37(9,10)11)16-27(17-52-30-29(38-61-39-30)40-12-14-51-15-13-40)60-36(50)24(6)59-35(49)23(5)58-34(48)22(4)57-33(47)21(3)55-26(8)43;1-17(48-28(40)18(2)46-21(5)36)27(39)45-16-24(38)35(31(7,8)9)14-23(50-30(42)20(4)49-29(41)19(3)47-22(6)37)15-44-26-25(32-51-33-26)34-10-12-43-13-11-34/h21-28,31H,14-20H2,1-13H3;2*19-24,27H,12-18H2,1-11H3;17-20,23H,10-16H2,1-9H3/t21?,22?,23?,24?,25?,26?,27?,28?,31-;2*19?,20?,21?,22?,23?,24?,27-;17?,18?,19?,20?,23-/m0000/s1
InChIKeyNMMXODNNFBTKCC-WJSIGZCHSA-N
XLogP1.86
TPSA1112.76 Ų
H-Bond Donors
H-Bond Acceptors92
Rotatable Bonds84
Heavy Atoms244
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003563.66
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1092

Computed Properties (RDKit)

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

Analyze [1-[2-[[(2S)-2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[2-[[(2S)-2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [1-[2-[[(2S)-2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[2-[[(2S)-2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate?
The IUPAC name of [1-[2-[[(2S)-2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[2-[[(2S)-2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate (CID 159823276) is [1-[2-[[(2S)-2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[2-[[(2S)-2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate.
What is the SMILES notation for [1-[2-[[(2S)-2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[2-[[(2S)-2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate?
The canonical SMILES for [1-[2-[[(2S)-2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[2-[[(2S)-2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate is CC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OCC(=O)N(C[C@@H](COc1nsnc1N1CCOCC1)OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(C)=O)C(C)(C)C.CC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OCC(=O)N(C[C@@H](COc1nsnc1N1CCOCC1)OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(C)=O)C(C)(C)C.CC(=O)OC(C)C(=O)OC(C)C(=O)OCC(=O)N(C[C@@H](COc1nsnc1N1CCOCC1)OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(C)=O)C(C)(C)C.CC(=O)OC(C)C(=O)OC(C)C(=O)OCC(=O)N(C[C@@H](COc1nsnc1N1CCOCC1)OC(=O)C(C)OC(=O)C(C)OC(C)=O)C(C)(C)C.
What is the InChIKey of [1-[2-[[(2S)-2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[2-[[(2S)-2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate?
The InChIKey is NMMXODNNFBTKCC-WJSIGZCHSA-N. The full InChI is InChI=1S/C43H62N4O23S.2C37H54N4O19S.C31H46N4O15S/c1-21(64-38(54)24(4)67-39(55)25(5)65-36(52)22(2)62-29(9)48)35(51)61-20-32(50)47(43(11,12)13)18-31(19-60-34-33(44-71-45-34)46-14-16-59-17-15-46)70-42(58)28(8)69-41(57)27(7)68-40(56)26(6)66-37(53)23(3)63-30(10)49;1-19(56-34(48)22(4)57-32(46)20(2)54-25(7)42)31(45)53-18-28(44)41(37(9,10)11)16-27(17-52-30-29(38-61-39-30)40-12-14-51-15-13-40)60-36(50)24(6)59-35(49)23(5)58-33(47)21(3)55-26(8)43;1-19(56-32(46)20(2)54-25(7)42)31(45)53-18-28(44)41(37(9,10)11)16-27(17-52-30-29(38-61-39-30)40-12-14-51-15-13-40)60-36(50)24(6)59-35(49)23(5)58-34(48)22(4)57-33(47)21(3)55-26(8)43;1-17(48-28(40)18(2)46-21(5)36)27(39)45-16-24(38)35(31(7,8)9)14-23(50-30(42)20(4)49-29(41)19(3)47-22(6)37)15-44-26-25(32-51-33-26)34-10-12-43-13-11-34/h21-28,31H,14-20H2,1-13H3;2*19-24,27H,12-18H2,1-11H3;17-20,23H,10-16H2,1-9H3/t21?,22?,23?,24?,25?,26?,27?,28?,31-;2*19?,20?,21?,22?,23?,24?,27-;17?,18?,19?,20?,23-/m0000/s1.
What are the key properties of [1-[2-[[(2S)-2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[2-[[(2S)-2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate?
[1-[2-[[(2S)-2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[2-[[(2S)-2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate has a molecular weight of 3563.66 g/mol, XLogP of 1.86, 84 rotatable bonds, 0 hydrogen bond donors, and 92 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[[(2S)-2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[2-[[(2S)-2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl] 2-acetyloxypropanoate;[1-[1-[1-[2-[[(2S)-2-[2-[2-[2-(2-acetyloxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-tert-butylamino]-2-oxoethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-acetyloxypropanoate is sourced from PubChem (CID 159823276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).