[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

C304H522F5N15O64 — CID 158254880

IUPAC[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
SMILESC.C.CC(=O)NC1C(OCCCCCCCCCCCCCC(=O)CCOCC(COCCC(=O)CCCCCCCCCCCCCOC2CC(COC(C)=O)C(C)C(C)C2NC(C)=O)(COCC(=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)(COCC(=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.CC(=O)NC1C(OCCCCCCCCCCCCCC(=O)CCOCC(N)(COCCC(=O)CCCCCCCCCCCCCOC2CC(COC(C)=O)C(C)C(C)C2NC(C)=O)COCC(=O)NCCCCCCCCCCCCOC2CC(COC(C)=O)C(C)C(C)C2NC(C)=O)CC(COC(C)=O)C(C)C1C.O=C(O)CCCC(=O)OCc1ccccc1
InChIInChI=1S/C101H173N5O21.C100H166F5N5O21.C89H161N5O18.C12H14O4.2CH4/c1-74-77(4)98(103-80(7)107)92(63-87(74)67-124-83(10)110)121-58-45-36-30-24-18-13-15-21-27-33-42-51-90(113)55-61-118-71-101(106-95(115)53-48-54-97(117)127-66-86-49-40-39-41-50-86,73-120-70-96(116)102-57-44-35-29-23-17-20-26-32-38-47-60-123-94-65-89(69-126-85(12)112)76(3)79(6)100(94)105-82(9)109)72-119-62-56-91(114)52-43-34-28-22-16-14-19-25-31-37-46-59-122-93-64-88(68-125-84(11)111)75(2)78(5)99(93)104-81(8)108;1-68-71(4)96(107-74(7)111)85(58-80(68)61-128-77(10)114)125-53-42-36-30-24-18-13-15-21-27-33-39-46-83(117)50-56-122-65-100(110-88(119)48-45-49-90(121)131-99-94(104)92(102)91(101)93(103)95(99)105,67-124-64-89(120)106-52-41-35-29-23-17-20-26-32-38-44-55-127-87-60-82(63-130-79(12)116)70(3)73(6)98(87)109-76(9)113)66-123-57-51-84(118)47-40-34-28-22-16-14-19-25-31-37-43-54-126-86-59-81(62-129-78(11)115)69(2)72(5)97(86)108-75(8)112;1-65-68(4)86(92-71(7)95)82(55-77(65)58-110-74(10)98)107-50-42-36-30-24-18-13-15-21-27-33-39-45-80(101)47-53-104-62-89(90,64-106-61-85(103)91-49-41-35-29-23-17-20-26-32-38-44-52-109-84-57-79(60-112-76(12)100)67(3)70(6)88(84)94-73(9)97)63-105-54-48-81(102)46-40-34-28-22-16-14-19-25-31-37-43-51-108-83-56-78(59-111-75(11)99)66(2)69(5)87(83)93-72(8)96;13-11(14)7-4-8-12(15)16-9-10-5-2-1-3-6-10;;/h39-41,49-50,74-79,87-89,92-94,98-100H,13-38,42-48,51-73H2,1-12H3,(H,102,116)(H,103,107)(H,104,108)(H,105,109)(H,106,115);68-73,80-82,85-87,96-98H,13-67H2,1-12H3,(H,106,120)(H,107,111)(H,108,112)(H,109,113)(H,110,119);65-70,77-79,82-84,86-88H,13-64,90H2,1-12H3,(H,91,103)(H,92,95)(H,93,96)(H,94,97);1-3,5-6H,4,7-9H2,(H,13,14);2*1H4
InChIKeyGHDVLHLHHNEDQD-UHFFFAOYSA-N
MW5506.55 g/mol
LogP53.76
Rot. Bonds220

About [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

[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 (PubChem CID 158254880) has the molecular formula C304H522F5N15O64 and a molecular weight of 5506.55 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID158254880
Molecular FormulaC304H522F5N15O64
Molecular Weight5506.55 g/mol
Exact Mass5502.80
IUPAC Name[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
SMILESC.C.CC(=O)NC1C(OCCCCCCCCCCCCCC(=O)CCOCC(COCCC(=O)CCCCCCCCCCCCCOC2CC(COC(C)=O)C(C)C(C)C2NC(C)=O)(COCC(=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)(COCC(=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.CC(=O)NC1C(OCCCCCCCCCCCCCC(=O)CCOCC(N)(COCCC(=O)CCCCCCCCCCCCCOC2CC(COC(C)=O)C(C)C(C)C2NC(C)=O)COCC(=O)NCCCCCCCCCCCCOC2CC(COC(C)=O)C(C)C(C)C2NC(C)=O)CC(COC(C)=O)C(C)C1C.O=C(O)CCCC(=O)OCc1ccccc1
InChIInChI=1S/C101H173N5O21.C100H166F5N5O21.C89H161N5O18.C12H14O4.2CH4/c1-74-77(4)98(103-80(7)107)92(63-87(74)67-124-83(10)110)121-58-45-36-30-24-18-13-15-21-27-33-42-51-90(113)55-61-118-71-101(106-95(115)53-48-54-97(117)127-66-86-49-40-39-41-50-86,73-120-70-96(116)102-57-44-35-29-23-17-20-26-32-38-47-60-123-94-65-89(69-126-85(12)112)76(3)79(6)100(94)105-82(9)109)72-119-62-56-91(114)52-43-34-28-22-16-14-19-25-31-37-46-59-122-93-64-88(68-125-84(11)111)75(2)78(5)99(93)104-81(8)108;1-68-71(4)96(107-74(7)111)85(58-80(68)61-128-77(10)114)125-53-42-36-30-24-18-13-15-21-27-33-39-46-83(117)50-56-122-65-100(110-88(119)48-45-49-90(121)131-99-94(104)92(102)91(101)93(103)95(99)105,67-124-64-89(120)106-52-41-35-29-23-17-20-26-32-38-44-55-127-87-60-82(63-130-79(12)116)70(3)73(6)98(87)109-76(9)113)66-123-57-51-84(118)47-40-34-28-22-16-14-19-25-31-37-43-54-126-86-59-81(62-129-78(11)115)69(2)72(5)97(86)108-75(8)112;1-65-68(4)86(92-71(7)95)82(55-77(65)58-110-74(10)98)107-50-42-36-30-24-18-13-15-21-27-33-39-45-80(101)47-53-104-62-89(90,64-106-61-85(103)91-49-41-35-29-23-17-20-26-32-38-44-52-109-84-57-79(60-112-76(12)100)67(3)70(6)88(84)94-73(9)97)63-105-54-48-81(102)46-40-34-28-22-16-14-19-25-31-37-43-51-108-83-56-78(59-111-75(11)99)66(2)69(5)87(83)93-72(8)96;13-11(14)7-4-8-12(15)16-9-10-5-2-1-3-6-10;;/h39-41,49-50,74-79,87-89,92-94,98-100H,13-38,42-48,51-73H2,1-12H3,(H,102,116)(H,103,107)(H,104,108)(H,105,109)(H,106,115);68-73,80-82,85-87,96-98H,13-67H2,1-12H3,(H,106,120)(H,107,111)(H,108,112)(H,109,113)(H,110,119);65-70,77-79,82-84,86-88H,13-64,90H2,1-12H3,(H,91,103)(H,92,95)(H,93,96)(H,94,97);1-3,5-6H,4,7-9H2,(H,13,14);2*1H4
InChIKeyGHDVLHLHHNEDQD-UHFFFAOYSA-N
XLogP53.76
TPSA1054.88 Ų
H-Bond Donors16
H-Bond Acceptors64
Rotatable Bonds220
Heavy Atoms388
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005506.55
LogP ≤ 553.76
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1064

Analyze [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 with MolForge

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Launch Full Analysis

Related Compounds

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
[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
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
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
(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
[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
benzyl 6-[[5-oxo-5-(2,3,4,5,6-pentafluorophenoxy)pentanoyl]amino]hexanoate
CID 169059134
benzyl 5-[[1,3-bis[3-(3-acetamidopropylamino)-3-oxopropoxy]-2-[[3-(3-acetamidopropylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-5-oxopentanoate
CID 168888452
benzyl 5-[[1-[[9-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-5-oxononyl]amino]-7-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-4-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-5-oxopentanoate
CID 157293188
[4-acetamido-5-[12-[3-[3-[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]-2-[[3-[12-[2-acetamido-5-(acetyloxymethyl)-3,4-dimethylcyclohexyl]oxydodecylamino]-3-oxopropoxy]methyl]-2-(phenacylamino)propoxy]propanoylamino]dodecoxy]-2,3-dimethylcyclohexyl]methyl acetate;12-aminododecan-1-ol;3-[3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)-2-(phenacylamino)propoxy]propanoic acid;N-(12-hydroxydodecyl)-3-[3-[3-(12-hydroxydodecylamino)-3-oxopropoxy]-2-[[3-(12-hydroxydodecylamino)-3-oxopropoxy]methyl]-2-(phenacylamino)propoxy]propanamide;molecular hydrogen;(2,4,5-trimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl)methyl acetate
CID 158685222
5-[[(1S,2R,3S,5S)-4-acetamido-3-acetyloxy-2-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;5-[[(1S,2R,3R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoic acid;benzyl 12-[[1,3-bis[3-(3-aminopropylamino)-3-oxopropoxy]-2-[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1,3-bis[3-(butylamino)-3-oxopropoxy]-2-[[3-(butylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;benzyl 12-[[1-[3-[[9-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]-5-oxononyl]amino]-3-oxopropoxy]-3-[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate
CID 157052520
benzyl 12-[[1,3-bis[3-(butylamino)-3-oxopropoxy]-2-[[3-(butylamino)-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoate;12-[[1-[3-[[9-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]-5-oxononyl]amino]-3-oxopropoxy]-3-[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]pentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoic acid
CID 161410986

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is C.C.CC(=O)NC1C(OCCCCCCCCCCCCCC(=O)CCOCC(COCCC(=O)CCCCCCCCCCCCCOC2CC(COC(C)=O)C(C)C(C)C2NC(C)=O)(COCC(=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)(COCC(=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.CC(=O)NC1C(OCCCCCCCCCCCCCC(=O)CCOCC(N)(COCCC(=O)CCCCCCCCCCCCCOC2CC(COC(C)=O)C(C)C(C)C2NC(C)=O)COCC(=O)NCCCCCCCCCCCCOC2CC(COC(C)=O)C(C)C(C)C2NC(C)=O)CC(COC(C)=O)C(C)C1C.O=C(O)CCCC(=O)OCc1ccccc1.
What is the InChIKey of [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?
The InChIKey is GHDVLHLHHNEDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H173N5O21.C100H166F5N5O21.C89H161N5O18.C12H14O4.2CH4/c1-74-77(4)98(103-80(7)107)92(63-87(74)67-124-83(10)110)121-58-45-36-30-24-18-13-15-21-27-33-42-51-90(113)55-61-118-71-101(106-95(115)53-48-54-97(117)127-66-86-49-40-39-41-50-86,73-120-70-96(116)102-57-44-35-29-23-17-20-26-32-38-47-60-123-94-65-89(69-126-85(12)112)76(3)79(6)100(94)105-82(9)109)72-119-62-56-91(114)52-43-34-28-22-16-14-19-25-31-37-46-59-122-93-64-88(68-125-84(11)111)75(2)78(5)99(93)104-81(8)108;1-68-71(4)96(107-74(7)111)85(58-80(68)61-128-77(10)114)125-53-42-36-30-24-18-13-15-21-27-33-39-46-83(117)50-56-122-65-100(110-88(119)48-45-49-90(121)131-99-94(104)92(102)91(101)93(103)95(99)105,67-124-64-89(120)106-52-41-35-29-23-17-20-26-32-38-44-55-127-87-60-82(63-130-79(12)116)70(3)73(6)98(87)109-76(9)113)66-123-57-51-84(118)47-40-34-28-22-16-14-19-25-31-37-43-54-126-86-59-81(62-129-78(11)115)69(2)72(5)97(86)108-75(8)112;1-65-68(4)86(92-71(7)95)82(55-77(65)58-110-74(10)98)107-50-42-36-30-24-18-13-15-21-27-33-39-45-80(101)47-53-104-62-89(90,64-106-61-85(103)91-49-41-35-29-23-17-20-26-32-38-44-52-109-84-57-79(60-112-76(12)100)67(3)70(6)88(84)94-73(9)97)63-105-54-48-81(102)46-40-34-28-22-16-14-19-25-31-37-43-51-108-83-56-78(59-111-75(11)99)66(2)69(5)87(83)93-72(8)96;13-11(14)7-4-8-12(15)16-9-10-5-2-1-3-6-10;;/h39-41,49-50,74-79,87-89,92-94,98-100H,13-38,42-48,51-73H2,1-12H3,(H,102,116)(H,103,107)(H,104,108)(H,105,109)(H,106,115);68-73,80-82,85-87,96-98H,13-67H2,1-12H3,(H,106,120)(H,107,111)(H,108,112)(H,109,113)(H,110,119);65-70,77-79,82-84,86-88H,13-64,90H2,1-12H3,(H,91,103)(H,92,95)(H,93,96)(H,94,97);1-3,5-6H,4,7-9H2,(H,13,14);2*1H4.
What are the key properties of [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?
[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 has a molecular weight of 5506.55 g/mol, XLogP of 53.76, 220 rotatable bonds, 16 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 158254880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).