N'-[1-[3-[12-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]-N-(methoxymethyl)pentanediamide;6-aminohexyl methyl hydrogen phosphate;benzyl 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate;ethane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate

C298H527F5N17O70P — CID 159207434

IUPACN'-[1-[3-[12-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]-N-(methoxymethyl)pentanediamide;6-aminohexyl methyl hydrogen phosphate;benzyl 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate;ethane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate
SMILESC.CC.CC(=O)NC1C(OCCCCCCCCCCCCCC(=O)CCOCC(COCCC(=O)CCCCCCCCCCCCCOC2CC(COC(C)=O)C(C)C(C)C2NC(C)=O)(COCCC(=O)NCCCCCCCCCCCCOC2CC(COC(C)=O)C(C)C(C)C2NC(C)=O)NC(=O)CCCC(=O)OCc2ccccc2)CC(COC(C)=O)C(C)C1C.CC(=O)NC1C(OCCCCCCCCCCCCCC(=O)CCOCC(COCCC(=O)CCCCCCCCCCCCCOC2CC(COC(C)=O)C(C)C(C)C2NC(C)=O)(COCCC(=O)NCCCCCCCCCCCCOC2CC(COC(C)=O)C(C)C(C)C2NC(C)=O)NC(=O)CCCC(=O)Oc2c(F)c(F)c(F)c(F)c2F)CC(COC(C)=O)C(C)C1C.COCNC(=O)CCCC(=O)NC(COCCC(=O)CCCCCCCCCCCCCOC1CC(CO)C(O)C(O)C1NC(C)=O)(COCCC(=O)CCCCCCCCCCCCCOC1CC(CO)C(O)C(O)C1NC(C)=O)COCCC(=O)NCCCCCCCCCCCCOC1CC(CO)C(O)C(O)C1NC(C)=O.COP(=O)(O)OCCCCCCN
InChIInChI=1S/C102H175N5O21.C101H168F5N5O21.C85H156N6O24.C7H18NO4P.C2H6.CH4/c1-75-78(4)99(104-81(7)108)93(65-88(75)69-125-84(10)111)122-59-45-36-30-24-18-13-15-21-27-33-42-51-91(114)55-62-119-72-102(107-97(117)53-48-54-98(118)128-68-87-49-40-39-41-50-87,73-120-63-56-92(115)52-43-34-28-22-16-14-19-25-31-37-46-60-123-94-66-89(70-126-85(11)112)76(2)79(5)100(94)105-82(8)109)74-121-64-57-96(116)103-58-44-35-29-23-17-20-26-32-38-47-61-124-95-67-90(71-127-86(12)113)77(3)80(6)101(95)106-83(9)110;1-69-72(4)97(108-75(7)112)86(60-81(69)63-129-78(10)115)126-54-42-36-30-24-18-13-15-21-27-33-39-46-84(118)50-57-123-66-101(111-90(121)48-45-49-91(122)132-100-95(105)93(103)92(102)94(104)96(100)106,67-124-58-51-85(119)47-40-34-28-22-16-14-19-25-31-37-43-55-127-87-61-82(64-130-79(11)116)70(2)73(5)98(87)109-76(8)113)68-125-59-52-89(120)107-53-41-35-29-23-17-20-26-32-38-44-56-128-88-62-83(65-131-80(12)117)71(3)74(6)99(88)110-77(9)114;1-62(95)88-76-70(52-65(55-92)79(103)82(76)106)113-46-34-28-22-16-10-5-7-13-19-25-31-38-68(98)42-49-110-58-85(91-75(102)41-37-40-73(100)87-61-109-4,59-111-50-43-69(99)39-32-26-20-14-8-6-11-17-23-29-35-47-114-71-53-66(56-93)80(104)83(107)77(71)89-63(2)96)60-112-51-44-74(101)86-45-33-27-21-15-9-12-18-24-30-36-48-115-72-54-67(57-94)81(105)84(108)78(72)90-64(3)97;1-11-13(9,10)12-7-5-3-2-4-6-8;1-2;/h39-41,49-50,75-80,88-90,93-95,99-101H,13-38,42-48,51-74H2,1-12H3,(H,103,116)(H,104,108)(H,105,109)(H,106,110)(H,107,117);69-74,81-83,86-88,97-99H,13-68H2,1-12H3,(H,107,120)(H,108,112)(H,109,113)(H,110,114)(H,111,121);65-67,70-72,76-84,92-94,103-108H,5-61H2,1-4H3,(H,86,101)(H,87,100)(H,88,95)(H,89,96)(H,90,97)(H,91,102);2-8H2,1H3,(H,9,10);1-2H3;1H4
InChIKeyKQBDRQPEDZUYGO-UHFFFAOYSA-N
MW5594.51 g/mol
LogP45.29
Rot. Bonds229

About N'-[1-[3-[12-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]-N-(methoxymethyl)pentanediamide;6-aminohexyl methyl hydrogen phosphate;benzyl 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate;ethane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate

N'-[1-[3-[12-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]-N-(methoxymethyl)pentanediamide;6-aminohexyl methyl hydrogen phosphate;benzyl 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate;ethane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate (PubChem CID 159207434) has the molecular formula C298H527F5N17O70P and a molecular weight of 5594.51 g/mol. Its IUPAC name is N'-[1-[3-[12-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]-N-(methoxymethyl)pentanediamide;6-aminohexyl methyl hydrogen phosphate;benzyl 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate;ethane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate.

Molecular Properties

Compound NameN'-[1-[3-[12-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]-N-(methoxymethyl)pentanediamide;6-aminohexyl methyl hydrogen phosphate;benzyl 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate;ethane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate
PubChem CID159207434
Molecular FormulaC298H527F5N17O70P
Molecular Weight5594.51 g/mol
Exact Mass5590.79
IUPAC NameN'-[1-[3-[12-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]-N-(methoxymethyl)pentanediamide;6-aminohexyl methyl hydrogen phosphate;benzyl 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate;ethane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate
SMILESC.CC.CC(=O)NC1C(OCCCCCCCCCCCCCC(=O)CCOCC(COCCC(=O)CCCCCCCCCCCCCOC2CC(COC(C)=O)C(C)C(C)C2NC(C)=O)(COCCC(=O)NCCCCCCCCCCCCOC2CC(COC(C)=O)C(C)C(C)C2NC(C)=O)NC(=O)CCCC(=O)OCc2ccccc2)CC(COC(C)=O)C(C)C1C.CC(=O)NC1C(OCCCCCCCCCCCCCC(=O)CCOCC(COCCC(=O)CCCCCCCCCCCCCOC2CC(COC(C)=O)C(C)C(C)C2NC(C)=O)(COCCC(=O)NCCCCCCCCCCCCOC2CC(COC(C)=O)C(C)C(C)C2NC(C)=O)NC(=O)CCCC(=O)Oc2c(F)c(F)c(F)c(F)c2F)CC(COC(C)=O)C(C)C1C.COCNC(=O)CCCC(=O)NC(COCCC(=O)CCCCCCCCCCCCCOC1CC(CO)C(O)C(O)C1NC(C)=O)(COCCC(=O)CCCCCCCCCCCCCOC1CC(CO)C(O)C(O)C1NC(C)=O)COCCC(=O)NCCCCCCCCCCCCOC1CC(CO)C(O)C(O)C1NC(C)=O.COP(=O)(O)OCCCCCCN
InChIInChI=1S/C102H175N5O21.C101H168F5N5O21.C85H156N6O24.C7H18NO4P.C2H6.CH4/c1-75-78(4)99(104-81(7)108)93(65-88(75)69-125-84(10)111)122-59-45-36-30-24-18-13-15-21-27-33-42-51-91(114)55-62-119-72-102(107-97(117)53-48-54-98(118)128-68-87-49-40-39-41-50-87,73-120-63-56-92(115)52-43-34-28-22-16-14-19-25-31-37-46-60-123-94-66-89(70-126-85(11)112)76(2)79(5)100(94)105-82(8)109)74-121-64-57-96(116)103-58-44-35-29-23-17-20-26-32-38-47-61-124-95-67-90(71-127-86(12)113)77(3)80(6)101(95)106-83(9)110;1-69-72(4)97(108-75(7)112)86(60-81(69)63-129-78(10)115)126-54-42-36-30-24-18-13-15-21-27-33-39-46-84(118)50-57-123-66-101(111-90(121)48-45-49-91(122)132-100-95(105)93(103)92(102)94(104)96(100)106,67-124-58-51-85(119)47-40-34-28-22-16-14-19-25-31-37-43-55-127-87-61-82(64-130-79(11)116)70(2)73(5)98(87)109-76(8)113)68-125-59-52-89(120)107-53-41-35-29-23-17-20-26-32-38-44-56-128-88-62-83(65-131-80(12)117)71(3)74(6)99(88)110-77(9)114;1-62(95)88-76-70(52-65(55-92)79(103)82(76)106)113-46-34-28-22-16-10-5-7-13-19-25-31-38-68(98)42-49-110-58-85(91-75(102)41-37-40-73(100)87-61-109-4,59-111-50-43-69(99)39-32-26-20-14-8-6-11-17-23-29-35-47-114-71-53-66(56-93)80(104)83(107)77(71)89-63(2)96)60-112-51-44-74(101)86-45-33-27-21-15-9-12-18-24-30-36-48-115-72-54-67(57-94)81(105)84(108)78(72)90-64(3)97;1-11-13(9,10)12-7-5-3-2-4-6-8;1-2;/h39-41,49-50,75-80,88-90,93-95,99-101H,13-38,42-48,51-74H2,1-12H3,(H,103,116)(H,104,108)(H,105,109)(H,106,110)(H,107,117);69-74,81-83,86-88,97-99H,13-68H2,1-12H3,(H,107,120)(H,108,112)(H,109,113)(H,110,114)(H,111,121);65-67,70-72,76-84,92-94,103-108H,5-61H2,1-4H3,(H,86,101)(H,87,100)(H,88,95)(H,89,96)(H,90,97)(H,91,102);2-8H2,1H3,(H,9,10);1-2H3;1H4
InChIKeyKQBDRQPEDZUYGO-UHFFFAOYSA-N
XLogP45.29
TPSA1217.64 Ų
H-Bond Donors27
H-Bond Acceptors70
Rotatable Bonds229
Heavy Atoms391
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005594.51
LogP ≤ 545.29
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1070

Analyze N'-[1-[3-[12-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]-N-(methoxymethyl)pentanediamide;6-aminohexyl methyl hydrogen phosphate;benzyl 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate;ethane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate with MolForge

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Related Compounds

[4-acetamido-5-[16-[2-[[2-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-2-oxoethoxy]methyl]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-aminopropoxy]-14-oxohexadecoxy]-2,3-dimethylcyclohexyl]methyl acetate;benzyl 5-[[1-[2-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-2-oxoethoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate;methane;5-oxo-5-phenylmethoxypentanoic acid;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[2-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-2-oxoethoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate
CID 158254880
N'-[1-[16-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxohexadecoxy]-2-[[16-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxohexadecoxy]methyl]-3-[3-[12-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxydodecylamino]-3-oxopropoxy]propan-2-yl]-N-(methoxymethyl)pentanediamide;6-aminohexyl methyl hydrogen phosphate;ethane
CID 161341514
5-[[1-[13-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxy-3,9-dioxotridecoxy]-2-[[3-[3-[5-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-3-[13-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3,9-dioxotridecoxy]propan-2-yl]amino]-5-oxopentanoic acid;6-aminohexyl methyl hydrogen phosphate;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[13-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxy-3,9-dioxotridecoxy]-2-[[3-[3-[5-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-3-[13-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3,9-dioxotridecoxy]propan-2-yl]amino]-5-oxopentanoate;(2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate
CID 158657031
[5-acetamido-6-[10-[3-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-2-[[5-[[hydroxy(methoxy)phosphoryl]oxymethylamino]-5-oxopentanoyl]amino]propoxy]-8-oxodecoxy]-2-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-3-yl] acetate;benzyl 8-[3-acetamido-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4,5-dimethyloxan-2-yl]oxyoctanoate;fluoro(methylphosphanyl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-3-[10-[3-acetamido-5-acetyloxy-6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-4-methyloxan-2-yl]oxy-3-oxodecoxy]propan-2-yl]amino]-5-oxopentanoate
CID 159496836
8-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-N-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-4-[4-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-3-oxobutyl]-4-[(9-methoxy-5-oxononanoyl)amino]-7-oxooctanamide;6-aminohexyl methyl hydrogen phosphate;ethane;(2,3,4,5,6-pentafluorophenyl) 5-[[1,9-bis[2-[2-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-5-[3-[2-[2-[2-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,8-dioxononan-5-yl]amino]-5-oxopentanoate
CID 159668149
benzyl 5-[[1-[10-[2-acetamido-4-acetyloxy-5-(acetyloxymethyl)-3-methylcyclohexyl]sulfanyl-3-oxodecoxy]-2-[[3-[6-[3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]sulfanylhexylamino]-3-oxopropoxy]methyl]-3-[10-[3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]sulfanyl-3-oxodecoxy]propan-2-yl]amino]-5-oxopentanoate
CID 157118156
[4-acetamido-5-[16-[2-[[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]methyl]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-aminopropoxy]-14-oxohexadecoxy]-2,3-dimethylcyclohexyl]methyl acetate;[4-acetamido-5-[16-[2-[[3-[12-[5-acetamido-2-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]methyl]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-(phenacylamino)propoxy]-14-oxohexadecoxy]-2,3-dimethylcyclohexyl]methyl acetate;(5-acetyloxy-2,4-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl)methyl acetate;12-aminododecan-1-ol;3-[3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)-2-(phenacylamino)propoxy]propanoic acid;N-(12-hydroxydodecyl)-3-[3-(16-hydroxy-3-oxohexadecoxy)-2-[(16-hydroxy-3-oxohexadecoxy)methyl]-2-(phenacylamino)propoxy]propanamide;5-oxo-5-phenylmethoxypentanoic acid
CID 161120920
6-aminohexyl methyl hydrogen phosphate;N'-[1,3-bis[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]propan-2-yl]-N-(6-methoxyhexyl)pentanediamide;ethane;methane
CID 159878429
6-aminohexyl methyl hydrogen phosphate;N'-[1,3-bis[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]propan-2-yl]-N-(6-methoxyhexyl)pentanediamide;ethane
CID 158207147
(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]heptylamino]-3-oxopropoxy]-2-[[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-3-[10-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxodecoxy]propan-2-yl]amino]-5-oxopentanoate
CID 159579838
6-aminohexyl methyl hydrogen phosphate;N'-[1,3-bis[3-[3-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]-N-(methoxymethyl)propanediamide;ethane;methane
CID 158807036
6-aminohexyl methyl hydrogen phosphate;N'-[1,3-bis[3-[3-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-[[3-[3-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypropylamino]-3-oxopropoxy]methyl]propan-2-yl]-N-(methoxymethyl)propanediamide;ethane;methane
CID 159740838

Frequently Asked Questions

What is the IUPAC name of N'-[1-[3-[12-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]-N-(methoxymethyl)pentanediamide;6-aminohexyl methyl hydrogen phosphate;benzyl 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate;ethane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate?
The IUPAC name of N'-[1-[3-[12-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]-N-(methoxymethyl)pentanediamide;6-aminohexyl methyl hydrogen phosphate;benzyl 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate;ethane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate (CID 159207434) is N'-[1-[3-[12-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]-N-(methoxymethyl)pentanediamide;6-aminohexyl methyl hydrogen phosphate;benzyl 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate;ethane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate.
What is the SMILES notation for N'-[1-[3-[12-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]-N-(methoxymethyl)pentanediamide;6-aminohexyl methyl hydrogen phosphate;benzyl 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate;ethane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate?
The canonical SMILES for N'-[1-[3-[12-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]-N-(methoxymethyl)pentanediamide;6-aminohexyl methyl hydrogen phosphate;benzyl 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate;ethane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate is C.CC.CC(=O)NC1C(OCCCCCCCCCCCCCC(=O)CCOCC(COCCC(=O)CCCCCCCCCCCCCOC2CC(COC(C)=O)C(C)C(C)C2NC(C)=O)(COCCC(=O)NCCCCCCCCCCCCOC2CC(COC(C)=O)C(C)C(C)C2NC(C)=O)NC(=O)CCCC(=O)OCc2ccccc2)CC(COC(C)=O)C(C)C1C.CC(=O)NC1C(OCCCCCCCCCCCCCC(=O)CCOCC(COCCC(=O)CCCCCCCCCCCCCOC2CC(COC(C)=O)C(C)C(C)C2NC(C)=O)(COCCC(=O)NCCCCCCCCCCCCOC2CC(COC(C)=O)C(C)C(C)C2NC(C)=O)NC(=O)CCCC(=O)Oc2c(F)c(F)c(F)c(F)c2F)CC(COC(C)=O)C(C)C1C.COCNC(=O)CCCC(=O)NC(COCCC(=O)CCCCCCCCCCCCCOC1CC(CO)C(O)C(O)C1NC(C)=O)(COCCC(=O)CCCCCCCCCCCCCOC1CC(CO)C(O)C(O)C1NC(C)=O)COCCC(=O)NCCCCCCCCCCCCOC1CC(CO)C(O)C(O)C1NC(C)=O.COP(=O)(O)OCCCCCCN.
What is the InChIKey of N'-[1-[3-[12-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]-N-(methoxymethyl)pentanediamide;6-aminohexyl methyl hydrogen phosphate;benzyl 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate;ethane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate?
The InChIKey is KQBDRQPEDZUYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H175N5O21.C101H168F5N5O21.C85H156N6O24.C7H18NO4P.C2H6.CH4/c1-75-78(4)99(104-81(7)108)93(65-88(75)69-125-84(10)111)122-59-45-36-30-24-18-13-15-21-27-33-42-51-91(114)55-62-119-72-102(107-97(117)53-48-54-98(118)128-68-87-49-40-39-41-50-87,73-120-63-56-92(115)52-43-34-28-22-16-14-19-25-31-37-46-60-123-94-66-89(70-126-85(11)112)76(2)79(5)100(94)105-82(8)109)74-121-64-57-96(116)103-58-44-35-29-23-17-20-26-32-38-47-61-124-95-67-90(71-127-86(12)113)77(3)80(6)101(95)106-83(9)110;1-69-72(4)97(108-75(7)112)86(60-81(69)63-129-78(10)115)126-54-42-36-30-24-18-13-15-21-27-33-39-46-84(118)50-57-123-66-101(111-90(121)48-45-49-91(122)132-100-95(105)93(103)92(102)94(104)96(100)106,67-124-58-51-85(119)47-40-34-28-22-16-14-19-25-31-37-43-55-127-87-61-82(64-130-79(11)116)70(2)73(5)98(87)109-76(8)113)68-125-59-52-89(120)107-53-41-35-29-23-17-20-26-32-38-44-56-128-88-62-83(65-131-80(12)117)71(3)74(6)99(88)110-77(9)114;1-62(95)88-76-70(52-65(55-92)79(103)82(76)106)113-46-34-28-22-16-10-5-7-13-19-25-31-38-68(98)42-49-110-58-85(91-75(102)41-37-40-73(100)87-61-109-4,59-111-50-43-69(99)39-32-26-20-14-8-6-11-17-23-29-35-47-114-71-53-66(56-93)80(104)83(107)77(71)89-63(2)96)60-112-51-44-74(101)86-45-33-27-21-15-9-12-18-24-30-36-48-115-72-54-67(57-94)81(105)84(108)78(72)90-64(3)97;1-11-13(9,10)12-7-5-3-2-4-6-8;1-2;/h39-41,49-50,75-80,88-90,93-95,99-101H,13-38,42-48,51-74H2,1-12H3,(H,103,116)(H,104,108)(H,105,109)(H,106,110)(H,107,117);69-74,81-83,86-88,97-99H,13-68H2,1-12H3,(H,107,120)(H,108,112)(H,109,113)(H,110,114)(H,111,121);65-67,70-72,76-84,92-94,103-108H,5-61H2,1-4H3,(H,86,101)(H,87,100)(H,88,95)(H,89,96)(H,90,97)(H,91,102);2-8H2,1H3,(H,9,10);1-2H3;1H4.
What are the key properties of N'-[1-[3-[12-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]-N-(methoxymethyl)pentanediamide;6-aminohexyl methyl hydrogen phosphate;benzyl 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate;ethane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate?
N'-[1-[3-[12-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]-N-(methoxymethyl)pentanediamide;6-aminohexyl methyl hydrogen phosphate;benzyl 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate;ethane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate has a molecular weight of 5594.51 g/mol, XLogP of 45.29, 229 rotatable bonds, 27 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[3-[12-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]-N-(methoxymethyl)pentanediamide;6-aminohexyl methyl hydrogen phosphate;benzyl 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate;ethane;methane;(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-3-[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]-2-[[16-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxy-3-oxohexadecoxy]methyl]propan-2-yl]amino]-5-oxopentanoate is sourced from PubChem (CID 159207434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).