4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate

C291H429N39O99S9 — CID 157155908

IUPAC4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate
SMILESCCNC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](CCc2ccccc2)OC(=O)C(C)OC(=O)CCC(=O)O[C@@H](CNC(C)(C)C)COc2nsnc2N2CCOCC2)[C@H](OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)CCC(=O)O[C@@H](CNC(C)(C)C)COc2nsnc2N2CCOCC2)C[C@@H]1OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)CCC(=O)O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.CCNC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](CCc2ccccc2)OC(=O)C(C)OC(=O)CCC(=O)O[C@@H](CNC(C)(C)C)COc2nsnc2N2CCOCC2)[C@H](OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)CCC(=O)O[C@@H](CNC(C)(C)C)COc2nsnc2N2CCOCC2)C[C@@H]1OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)CCC(=O)O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.CCNC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](CCc2ccccc2)OC(=O)C(C)OC(=O)CCC(=O)O[C@@H](CNC(C)(C)C)COc2nsnc2N2CCOCC2)[C@H](OC(=O)C(C)OC(=O)C(C)OC(=O)CCC(=O)O[C@@H](CNC(C)(C)C)COc2nsnc2N2CCOCC2)C[C@@H]1OC(=O)C(C)OC(=O)C(C)OC(=O)CCC(=O)O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1
InChIInChI=1S/C103H151N13O37S3.C97H143N13O33S3.C91H135N13O29S3/c1-20-104-79(117)31-27-22-21-26-30-75-76(35-34-71(33-32-70-28-24-23-25-29-70)151-98(130)63(4)141-82(120)38-41-85(123)150-74(57-107-103(17,18)19)60-138-91-88(110-156-113-91)116-46-52-135-53-47-116)78(153-100(132)69(10)147-97(129)67(8)145-95(127)65(6)143-93(125)62(3)140-81(119)37-40-84(122)149-73(56-106-102(14,15)16)59-137-90-87(109-155-112-90)115-44-50-134-51-45-115)54-77(75)152-99(131)68(9)146-96(128)66(7)144-94(126)64(5)142-92(124)61(2)139-80(118)36-39-83(121)148-72(55-105-101(11,12)13)58-136-89-86(108-154-111-89)114-42-48-133-49-43-114;1-18-98-75(111)29-25-20-19-24-28-71-72(33-32-67(31-30-66-26-22-21-23-27-66)141-92(122)61(4)133-78(114)36-39-81(117)140-70(55-101-97(15,16)17)58-130-87-84(104-146-107-87)110-44-50-127-51-45-110)74(143-94(124)65(8)137-91(121)63(6)135-89(119)60(3)132-77(113)35-38-80(116)139-69(54-100-96(12,13)14)57-129-86-83(103-145-106-86)109-42-48-126-49-43-109)52-73(71)142-93(123)64(7)136-90(120)62(5)134-88(118)59(2)131-76(112)34-37-79(115)138-68(53-99-95(9,10)11)56-128-85-82(102-144-105-85)108-40-46-125-47-41-108;1-16-92-71(105)27-23-18-17-22-26-67-68(31-30-63(29-28-62-24-20-19-21-25-62)131-86(114)59(4)125-74(108)34-37-77(111)130-66(53-95-91(13,14)15)56-122-83-80(98-136-101-83)104-42-48-119-49-43-104)70(133-88(116)61(6)127-85(113)58(3)124-73(107)33-36-76(110)129-65(52-94-90(10,11)12)55-121-82-79(97-135-100-82)103-40-46-118-47-41-103)50-69(67)132-87(115)60(5)126-84(112)57(2)123-72(106)32-35-75(109)128-64(51-93-89(7,8)9)54-120-81-78(96-134-99-81)102-38-44-117-45-39-102/h21,23-26,28-29,34-35,61-69,71-78,105-107H,20,22,27,30-33,36-60H2,1-19H3,(H,104,117);19,21-24,26-27,32-33,59-65,67-74,99-101H,18,20,25,28-31,34-58H2,1-17H3,(H,98,111);17,19-22,24-25,30-31,57-61,63-70,93-95H,16,18,23,26-29,32-56H2,1-15H3,(H,92,105)/b26-21-,35-34+;24-19-,33-32+;22-17-,31-30+/t61?,62?,63?,64?,65?,66?,67?,68?,69?,71-,72-,73-,74-,75+,76+,77-,78+;59?,60?,61?,62?,63?,64?,65?,67-,68-,69-,70-,71+,72+,73-,74+;57?,58?,59?,60?,61?,63-,64-,65-,66-,67+,68+,69-,70+/m000/s1
InChIKeyALUMQMDCVRSHOC-XMPMHMJASA-N
MW6346.41 g/mol
LogP20.59
Rot. Bonds177

About 4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate

4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate (PubChem CID 157155908) has the molecular formula C291H429N39O99S9 and a molecular weight of 6346.41 g/mol. Its IUPAC name is 4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate.

Molecular Properties

Compound Name4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate
PubChem CID157155908
Molecular FormulaC291H429N39O99S9
Molecular Weight6346.41 g/mol
Exact Mass6341.72
IUPAC Name4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate
SMILESCCNC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](CCc2ccccc2)OC(=O)C(C)OC(=O)CCC(=O)O[C@@H](CNC(C)(C)C)COc2nsnc2N2CCOCC2)[C@H](OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)CCC(=O)O[C@@H](CNC(C)(C)C)COc2nsnc2N2CCOCC2)C[C@@H]1OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)CCC(=O)O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.CCNC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](CCc2ccccc2)OC(=O)C(C)OC(=O)CCC(=O)O[C@@H](CNC(C)(C)C)COc2nsnc2N2CCOCC2)[C@H](OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)CCC(=O)O[C@@H](CNC(C)(C)C)COc2nsnc2N2CCOCC2)C[C@@H]1OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)CCC(=O)O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.CCNC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](CCc2ccccc2)OC(=O)C(C)OC(=O)CCC(=O)O[C@@H](CNC(C)(C)C)COc2nsnc2N2CCOCC2)[C@H](OC(=O)C(C)OC(=O)C(C)OC(=O)CCC(=O)O[C@@H](CNC(C)(C)C)COc2nsnc2N2CCOCC2)C[C@@H]1OC(=O)C(C)OC(=O)C(C)OC(=O)CCC(=O)O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1
InChIInChI=1S/C103H151N13O37S3.C97H143N13O33S3.C91H135N13O29S3/c1-20-104-79(117)31-27-22-21-26-30-75-76(35-34-71(33-32-70-28-24-23-25-29-70)151-98(130)63(4)141-82(120)38-41-85(123)150-74(57-107-103(17,18)19)60-138-91-88(110-156-113-91)116-46-52-135-53-47-116)78(153-100(132)69(10)147-97(129)67(8)145-95(127)65(6)143-93(125)62(3)140-81(119)37-40-84(122)149-73(56-106-102(14,15)16)59-137-90-87(109-155-112-90)115-44-50-134-51-45-115)54-77(75)152-99(131)68(9)146-96(128)66(7)144-94(126)64(5)142-92(124)61(2)139-80(118)36-39-83(121)148-72(55-105-101(11,12)13)58-136-89-86(108-154-111-89)114-42-48-133-49-43-114;1-18-98-75(111)29-25-20-19-24-28-71-72(33-32-67(31-30-66-26-22-21-23-27-66)141-92(122)61(4)133-78(114)36-39-81(117)140-70(55-101-97(15,16)17)58-130-87-84(104-146-107-87)110-44-50-127-51-45-110)74(143-94(124)65(8)137-91(121)63(6)135-89(119)60(3)132-77(113)35-38-80(116)139-69(54-100-96(12,13)14)57-129-86-83(103-145-106-86)109-42-48-126-49-43-109)52-73(71)142-93(123)64(7)136-90(120)62(5)134-88(118)59(2)131-76(112)34-37-79(115)138-68(53-99-95(9,10)11)56-128-85-82(102-144-105-85)108-40-46-125-47-41-108;1-16-92-71(105)27-23-18-17-22-26-67-68(31-30-63(29-28-62-24-20-19-21-25-62)131-86(114)59(4)125-74(108)34-37-77(111)130-66(53-95-91(13,14)15)56-122-83-80(98-136-101-83)104-42-48-119-49-43-104)70(133-88(116)61(6)127-85(113)58(3)124-73(107)33-36-76(110)129-65(52-94-90(10,11)12)55-121-82-79(97-135-100-82)103-40-46-118-47-41-103)50-69(67)132-87(115)60(5)126-84(112)57(2)123-72(106)32-35-75(109)128-64(51-93-89(7,8)9)54-120-81-78(96-134-99-81)102-38-44-117-45-39-102/h21,23-26,28-29,34-35,61-69,71-78,105-107H,20,22,27,30-33,36-60H2,1-19H3,(H,104,117);19,21-24,26-27,32-33,59-65,67-74,99-101H,18,20,25,28-31,34-58H2,1-17H3,(H,98,111);17,19-22,24-25,30-31,57-61,63-70,93-95H,16,18,23,26-29,32-56H2,1-15H3,(H,92,105)/b26-21-,35-34+;24-19-,33-32+;22-17-,31-30+/t61?,62?,63?,64?,65?,66?,67?,68?,69?,71-,72-,73-,74-,75+,76+,77-,78+;59?,60?,61?,62?,63?,64?,65?,67-,68-,69-,70-,71+,72+,73-,74+;57?,58?,59?,60?,61?,63-,64-,65-,66-,67+,68+,69-,70+/m000/s1
InChIKeyALUMQMDCVRSHOC-XMPMHMJASA-N
XLogP20.59
TPSA1648.59 Ų
H-Bond Donors12
H-Bond Acceptors144
Rotatable Bonds177
Heavy Atoms438
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006346.41
LogP ≤ 520.59
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 10144

Analyze 4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate with MolForge

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Related Compounds

[(1R,2R,3R,4S)-2-[(E,3S)-3-[(2S)-2-acetyloxypropanoyl]oxy-5-phenylpent-1-enyl]-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxy-3-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl] (2S)-2-acetyloxypropanoate
CID 158044291
(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-butanoyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;(Z)-but-2-enedioic acid;(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;bis([(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-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] butanoate)
CID 160577870
(2R)-2-butanoyloxypropanoic acid;(Z)-but-2-enedioic acid;(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;bis([(2R)-1-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl] butanoate)
CID 159628619
[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-acetyloxypropanoate;[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-hydroxypropanoate;[1-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-1-oxopropan-2-yl] butanoate
CID 161269084
[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
[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] (2S)-2-ethylsulfanylcarbonyloxypropanoate
CID 155010791
[(E,3S)-1-[(1R,2R,3S,5R)-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]-3,5-dihydroxycyclopentyl]-5-phenylpent-1-en-3-yl] pentanoate
CID 58231690
7-[(1R,2R,3R,5S)-3,5-bis(oxan-2-yloxy)-2-[(3S)-3-(oxan-2-yloxy)-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide
CID 91115929
(Z)-but-2-enedioic acid;[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] benzoate
CID 45267146
[1-[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]oxy-1-oxopropan-2-yl] 5-[[(4S)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-5-oxopentanoate
CID 134237169
methyl (Z)-7-[(1R,2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate
CID 140538305
4-[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobut-2-enoic acid
CID 54070841

Frequently Asked Questions

What is the IUPAC name of 4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate?
The IUPAC name of 4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate (CID 157155908) is 4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate.
What is the SMILES notation for 4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate?
The canonical SMILES for 4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate is CCNC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](CCc2ccccc2)OC(=O)C(C)OC(=O)CCC(=O)O[C@@H](CNC(C)(C)C)COc2nsnc2N2CCOCC2)[C@H](OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)CCC(=O)O[C@@H](CNC(C)(C)C)COc2nsnc2N2CCOCC2)C[C@@H]1OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)CCC(=O)O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.CCNC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](CCc2ccccc2)OC(=O)C(C)OC(=O)CCC(=O)O[C@@H](CNC(C)(C)C)COc2nsnc2N2CCOCC2)[C@H](OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)CCC(=O)O[C@@H](CNC(C)(C)C)COc2nsnc2N2CCOCC2)C[C@@H]1OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)CCC(=O)O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.CCNC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](CCc2ccccc2)OC(=O)C(C)OC(=O)CCC(=O)O[C@@H](CNC(C)(C)C)COc2nsnc2N2CCOCC2)[C@H](OC(=O)C(C)OC(=O)C(C)OC(=O)CCC(=O)O[C@@H](CNC(C)(C)C)COc2nsnc2N2CCOCC2)C[C@@H]1OC(=O)C(C)OC(=O)C(C)OC(=O)CCC(=O)O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1.
What is the InChIKey of 4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate?
The InChIKey is ALUMQMDCVRSHOC-XMPMHMJASA-N. The full InChI is InChI=1S/C103H151N13O37S3.C97H143N13O33S3.C91H135N13O29S3/c1-20-104-79(117)31-27-22-21-26-30-75-76(35-34-71(33-32-70-28-24-23-25-29-70)151-98(130)63(4)141-82(120)38-41-85(123)150-74(57-107-103(17,18)19)60-138-91-88(110-156-113-91)116-46-52-135-53-47-116)78(153-100(132)69(10)147-97(129)67(8)145-95(127)65(6)143-93(125)62(3)140-81(119)37-40-84(122)149-73(56-106-102(14,15)16)59-137-90-87(109-155-112-90)115-44-50-134-51-45-115)54-77(75)152-99(131)68(9)146-96(128)66(7)144-94(126)64(5)142-92(124)61(2)139-80(118)36-39-83(121)148-72(55-105-101(11,12)13)58-136-89-86(108-154-111-89)114-42-48-133-49-43-114;1-18-98-75(111)29-25-20-19-24-28-71-72(33-32-67(31-30-66-26-22-21-23-27-66)141-92(122)61(4)133-78(114)36-39-81(117)140-70(55-101-97(15,16)17)58-130-87-84(104-146-107-87)110-44-50-127-51-45-110)74(143-94(124)65(8)137-91(121)63(6)135-89(119)60(3)132-77(113)35-38-80(116)139-69(54-100-96(12,13)14)57-129-86-83(103-145-106-86)109-42-48-126-49-43-109)52-73(71)142-93(123)64(7)136-90(120)62(5)134-88(118)59(2)131-76(112)34-37-79(115)138-68(53-99-95(9,10)11)56-128-85-82(102-144-105-85)108-40-46-125-47-41-108;1-16-92-71(105)27-23-18-17-22-26-67-68(31-30-63(29-28-62-24-20-19-21-25-62)131-86(114)59(4)125-74(108)34-37-77(111)130-66(53-95-91(13,14)15)56-122-83-80(98-136-101-83)104-42-48-119-49-43-104)70(133-88(116)61(6)127-85(113)58(3)124-73(107)33-36-76(110)129-65(52-94-90(10,11)12)55-121-82-79(97-135-100-82)103-40-46-118-47-41-103)50-69(67)132-87(115)60(5)126-84(112)57(2)123-72(106)32-35-75(109)128-64(51-93-89(7,8)9)54-120-81-78(96-134-99-81)102-38-44-117-45-39-102/h21,23-26,28-29,34-35,61-69,71-78,105-107H,20,22,27,30-33,36-60H2,1-19H3,(H,104,117);19,21-24,26-27,32-33,59-65,67-74,99-101H,18,20,25,28-31,34-58H2,1-17H3,(H,98,111);17,19-22,24-25,30-31,57-61,63-70,93-95H,16,18,23,26-29,32-56H2,1-15H3,(H,92,105)/b26-21-,35-34+;24-19-,33-32+;22-17-,31-30+/t61?,62?,63?,64?,65?,66?,67?,68?,69?,71-,72-,73-,74-,75+,76+,77-,78+;59?,60?,61?,62?,63?,64?,65?,67-,68-,69-,70-,71+,72+,73-,74+;57?,58?,59?,60?,61?,63-,64-,65-,66-,67+,68+,69-,70+/m000/s1.
What are the key properties of 4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate?
4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate has a molecular weight of 6346.41 g/mol, XLogP of 20.59, 177 rotatable bonds, 12 hydrogen bond donors, and 144 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate;4-O-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 1-O-[1-[1-[1-[1-[(1S,2R,3R,4R)-3-[(E,3S)-3-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]-5-phenylpent-1-enyl]-4-[2-[2-[2-[2-[4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobutanoyl]oxypropanoyloxy]propanoyloxy]propanoyloxy]propanoyloxy]-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] butanedioate is sourced from PubChem (CID 157155908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).