[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

C306H529N15O67 — CID 161120920

IUPAC[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
SMILESCC(=O)NC1C(OCCCCCCCCCCCCCC(=O)CCOCC(N)(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)CC(COC(C)=O)C(C)C1C.CC(=O)NC1CC(OCCCCCCCCCCCCNC(=O)CCOCC(COCCC(=O)CCCCCCCCCCCCCOC2CC(COC(C)=O)C(C)C(C)C2NC(C)=O)(COCCC(=O)CCCCCCCCCCCCCOC2CC(COC(C)=O)C(C)C(C)C2NC(C)=O)NCC(=O)c2ccccc2)C(COC(C)=O)C(C)C1C.CC(=O)OCC1CC2OC(C)=NC2C(C)C1OC(C)=O.NCCCCCCCCCCCCO.O=C(CCCCCCCCCCCCCO)CCOCC(COCCC(=O)CCCCCCCCCCCCCO)(COCCC(=O)NCCCCCCCCCCCCO)NCC(=O)c1ccccc1.O=C(O)CCCC(=O)OCc1ccccc1.O=C(O)CCOCC(COCCC(=O)O)(COCCC(=O)O)NCC(=O)c1ccccc1
InChIInChI=1S/C98H169N5O19.C90H163N5O18.C59H106N2O10.C21H29NO10.C14H21NO5.C12H27NO.C12H14O4/c1-72-76(5)96(102-79(8)105)93(62-85(72)66-120-81(10)107)118-57-46-37-31-24-18-13-15-21-27-33-42-50-87(110)52-59-114-69-98(100-65-91(112)84-48-40-39-41-49-84,70-115-60-53-88(111)51-43-34-28-22-16-14-19-25-32-38-47-58-119-94-63-86(67-121-82(11)108)73(2)77(6)97(94)103-80(9)106)71-116-61-54-95(113)99-55-44-35-29-23-17-20-26-30-36-45-56-117-92-64-90(101-78(7)104)75(4)74(3)89(92)68-122-83(12)109;1-66-69(4)87(93-72(7)96)83(57-78(66)60-111-75(10)99)108-51-42-36-30-24-18-13-15-21-27-33-39-45-81(102)47-54-105-63-90(91,64-106-55-48-82(103)46-40-34-28-22-16-14-19-25-31-37-43-52-109-84-58-79(61-112-76(11)100)67(2)70(5)88(84)94-73(8)97)65-107-56-49-86(104)92-50-41-35-29-23-17-20-26-32-38-44-53-110-85-59-80(62-113-77(12)101)68(3)71(6)89(85)95-74(9)98;62-44-33-24-18-12-6-1-3-9-15-21-30-38-55(65)40-47-69-51-59(61-50-57(67)54-36-28-27-29-37-54,52-70-48-41-56(66)39-31-22-16-10-4-2-7-13-19-25-34-45-63)53-71-49-42-58(68)60-43-32-23-17-11-5-8-14-20-26-35-46-64;23-17(16-4-2-1-3-5-16)12-22-21(13-30-9-6-18(24)25,14-31-10-7-19(26)27)15-32-11-8-20(28)29;1-7-13-12(19-8(2)15-13)5-11(6-18-9(3)16)14(7)20-10(4)17;13-11-9-7-5-3-1-2-4-6-8-10-12-14;13-11(14)7-4-8-12(15)16-9-10-5-2-1-3-6-10/h39-41,48-49,72-77,85-86,89-90,92-94,96-97,100H,13-38,42-47,50-71H2,1-12H3,(H,99,113)(H,101,104)(H,102,105)(H,103,106);66-71,78-80,83-85,87-89H,13-65,91H2,1-12H3,(H,92,104)(H,93,96)(H,94,97)(H,95,98);27-29,36-37,61-64H,1-26,30-35,38-53H2,(H,60,68);1-5,22H,6-15H2,(H,24,25)(H,26,27)(H,28,29);7,11-14H,5-6H2,1-4H3;14H,1-13H2;1-3,5-6H,4,7-9H2,(H,13,14)
InChIKeyUKXYMQQGKKFHEW-UHFFFAOYSA-N
MW5490.64 g/mol
LogP51.56
Rot. Bonds236

About [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

[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 (PubChem CID 161120920) has the molecular formula C306H529N15O67 and a molecular weight of 5490.64 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID161120920
Molecular FormulaC306H529N15O67
Molecular Weight5490.64 g/mol
Exact Mass5486.84
IUPAC Name[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
SMILESCC(=O)NC1C(OCCCCCCCCCCCCCC(=O)CCOCC(N)(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)CC(COC(C)=O)C(C)C1C.CC(=O)NC1CC(OCCCCCCCCCCCCNC(=O)CCOCC(COCCC(=O)CCCCCCCCCCCCCOC2CC(COC(C)=O)C(C)C(C)C2NC(C)=O)(COCCC(=O)CCCCCCCCCCCCCOC2CC(COC(C)=O)C(C)C(C)C2NC(C)=O)NCC(=O)c2ccccc2)C(COC(C)=O)C(C)C1C.CC(=O)OCC1CC2OC(C)=NC2C(C)C1OC(C)=O.NCCCCCCCCCCCCO.O=C(CCCCCCCCCCCCCO)CCOCC(COCCC(=O)CCCCCCCCCCCCCO)(COCCC(=O)NCCCCCCCCCCCCO)NCC(=O)c1ccccc1.O=C(O)CCCC(=O)OCc1ccccc1.O=C(O)CCOCC(COCCC(=O)O)(COCCC(=O)O)NCC(=O)c1ccccc1
InChIInChI=1S/C98H169N5O19.C90H163N5O18.C59H106N2O10.C21H29NO10.C14H21NO5.C12H27NO.C12H14O4/c1-72-76(5)96(102-79(8)105)93(62-85(72)66-120-81(10)107)118-57-46-37-31-24-18-13-15-21-27-33-42-50-87(110)52-59-114-69-98(100-65-91(112)84-48-40-39-41-49-84,70-115-60-53-88(111)51-43-34-28-22-16-14-19-25-32-38-47-58-119-94-63-86(67-121-82(11)108)73(2)77(6)97(94)103-80(9)106)71-116-61-54-95(113)99-55-44-35-29-23-17-20-26-30-36-45-56-117-92-64-90(101-78(7)104)75(4)74(3)89(92)68-122-83(12)109;1-66-69(4)87(93-72(7)96)83(57-78(66)60-111-75(10)99)108-51-42-36-30-24-18-13-15-21-27-33-39-45-81(102)47-54-105-63-90(91,64-106-55-48-82(103)46-40-34-28-22-16-14-19-25-31-37-43-52-109-84-58-79(61-112-76(11)100)67(2)70(5)88(84)94-73(8)97)65-107-56-49-86(104)92-50-41-35-29-23-17-20-26-32-38-44-53-110-85-59-80(62-113-77(12)101)68(3)71(6)89(85)95-74(9)98;62-44-33-24-18-12-6-1-3-9-15-21-30-38-55(65)40-47-69-51-59(61-50-57(67)54-36-28-27-29-37-54,52-70-48-41-56(66)39-31-22-16-10-4-2-7-13-19-25-34-45-63)53-71-49-42-58(68)60-43-32-23-17-11-5-8-14-20-26-35-46-64;23-17(16-4-2-1-3-5-16)12-22-21(13-30-9-6-18(24)25,14-31-10-7-19(26)27)15-32-11-8-20(28)29;1-7-13-12(19-8(2)15-13)5-11(6-18-9(3)16)14(7)20-10(4)17;13-11-9-7-5-3-1-2-4-6-8-10-12-14;13-11(14)7-4-8-12(15)16-9-10-5-2-1-3-6-10/h39-41,48-49,72-77,85-86,89-90,92-94,96-97,100H,13-38,42-47,50-71H2,1-12H3,(H,99,113)(H,101,104)(H,102,105)(H,103,106);66-71,78-80,83-85,87-89H,13-65,91H2,1-12H3,(H,92,104)(H,93,96)(H,94,97)(H,95,98);27-29,36-37,61-64H,1-26,30-35,38-53H2,(H,60,68);1-5,22H,6-15H2,(H,24,25)(H,26,27)(H,28,29);7,11-14H,5-6H2,1-4H3;14H,1-13H2;1-3,5-6H,4,7-9H2,(H,13,14)
InChIKeyUKXYMQQGKKFHEW-UHFFFAOYSA-N
XLogP51.56
TPSA1158.21 Ų
H-Bond Donors22
H-Bond Acceptors69
Rotatable Bonds236
Heavy Atoms388
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005490.64
LogP ≤ 551.56
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1069

Analyze [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 with MolForge

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Related Compounds

[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
[(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-aminopropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-methylpropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-(3-aminopropoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;[(4S,5R,7aR)-2,4,5-trimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]methyl acetate;3-[3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)-2-(phenacylamino)propoxy]propanoic acid;2-(4-hydroxybutylamino)-1-phenylethanone;5-oxo-5-phenylmethoxypentanoic acid;[(3R,4S,6R)-3,4,5-trimethyl-6-[3-(phenacylamino)propoxy]oxan-2-yl]methyl acetate
CID 159342894
[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
[(3aS,6R,7aS)-2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methyl acetate;[(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-methylpropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-(3-aminopropoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;3-[3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)-2-(phenacylamino)propoxy]propanoic acid;2-(4-hydroxybutylamino)-1-phenylethanone;[(3R,4S,6R)-3,4,5-trimethyl-6-[3-(phenacylamino)propoxy]oxan-2-yl]methyl acetate
CID 160674835
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
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
[(3aS,6R,7aS)-2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methyl acetate;[(3R,4S,6R)-6-[7-[2-[[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxoheptoxy]methyl]-3-[3-[3-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypropylamino]-3-oxopropoxy]-2-methylpropoxy]-5-oxoheptoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[(3R,4S,6R)-6-(3-aminopropoxy)-3,4,5-trimethyloxan-2-yl]methyl acetate;7-(2-carboxyethoxy)-6-(2-carboxyethoxymethyl)-6-methylheptanoic acid;2-(4-hydroxybutylamino)-1-phenylethanone;[(3R,4S,6R)-3,4,5-trimethyl-6-[3-(phenacylamino)propoxy]oxan-2-yl]methyl acetate
CID 159215552
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 5-[4-[4,6-bis[[3-[3-[[5-[[1-[3-[[9-[(2S,4S,5S)-3-acetyloxy-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxy-5-oxononyl]amino]-3-oxopropoxy]-3-[3-[3-[5-[(2S,4S,5S)-3-acetyloxy-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[(2S,4S,5S)-3-acetyloxy-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-5-oxopentanoyl]amino]propylamino]-3-oxopropyl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]-5-oxopentanoate
CID 167550715
[6-[2-[2-[2-[3-[3-[3-[2-[2-[2-[6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-2-(6-aminohexanoylamino)propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[6-[2-[2-[2-[3-[3-[3-[2-[2-[2-[6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-2-aminopropoxy]propanoylamino]ethoxy]ethoxy]ethoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;[6-[2-[2-[2-[3-[3-[3-[2-[2-[2-[6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-2-[6-(phenylmethoxycarbonylamino)hexanoylamino]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]-3,4,5-trimethyloxan-2-yl]methyl acetate;6-(phenylmethoxycarbonylamino)hexanoic acid
CID 157226357
benzyl 12-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis[3-[3-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-6-[[3-[3-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]oxan-2-yl]amino]-12-oxododecanoate
CID 172518185
benzyl 4-[[1,3-bis[3-[2-[2-[2-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[(2R,4S,5R)-3-acetamido-6-(acetyloxymethyl)-4,5-dimethyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-4-oxobutanoate
CID 157074054

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(=O)NC1C(OCCCCCCCCCCCCCC(=O)CCOCC(N)(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)CC(COC(C)=O)C(C)C1C.CC(=O)NC1CC(OCCCCCCCCCCCCNC(=O)CCOCC(COCCC(=O)CCCCCCCCCCCCCOC2CC(COC(C)=O)C(C)C(C)C2NC(C)=O)(COCCC(=O)CCCCCCCCCCCCCOC2CC(COC(C)=O)C(C)C(C)C2NC(C)=O)NCC(=O)c2ccccc2)C(COC(C)=O)C(C)C1C.CC(=O)OCC1CC2OC(C)=NC2C(C)C1OC(C)=O.NCCCCCCCCCCCCO.O=C(CCCCCCCCCCCCCO)CCOCC(COCCC(=O)CCCCCCCCCCCCCO)(COCCC(=O)NCCCCCCCCCCCCO)NCC(=O)c1ccccc1.O=C(O)CCCC(=O)OCc1ccccc1.O=C(O)CCOCC(COCCC(=O)O)(COCCC(=O)O)NCC(=O)c1ccccc1.
What is the InChIKey of [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?
The InChIKey is UKXYMQQGKKFHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H169N5O19.C90H163N5O18.C59H106N2O10.C21H29NO10.C14H21NO5.C12H27NO.C12H14O4/c1-72-76(5)96(102-79(8)105)93(62-85(72)66-120-81(10)107)118-57-46-37-31-24-18-13-15-21-27-33-42-50-87(110)52-59-114-69-98(100-65-91(112)84-48-40-39-41-49-84,70-115-60-53-88(111)51-43-34-28-22-16-14-19-25-32-38-47-58-119-94-63-86(67-121-82(11)108)73(2)77(6)97(94)103-80(9)106)71-116-61-54-95(113)99-55-44-35-29-23-17-20-26-30-36-45-56-117-92-64-90(101-78(7)104)75(4)74(3)89(92)68-122-83(12)109;1-66-69(4)87(93-72(7)96)83(57-78(66)60-111-75(10)99)108-51-42-36-30-24-18-13-15-21-27-33-39-45-81(102)47-54-105-63-90(91,64-106-55-48-82(103)46-40-34-28-22-16-14-19-25-31-37-43-52-109-84-58-79(61-112-76(11)100)67(2)70(5)88(84)94-73(8)97)65-107-56-49-86(104)92-50-41-35-29-23-17-20-26-32-38-44-53-110-85-59-80(62-113-77(12)101)68(3)71(6)89(85)95-74(9)98;62-44-33-24-18-12-6-1-3-9-15-21-30-38-55(65)40-47-69-51-59(61-50-57(67)54-36-28-27-29-37-54,52-70-48-41-56(66)39-31-22-16-10-4-2-7-13-19-25-34-45-63)53-71-49-42-58(68)60-43-32-23-17-11-5-8-14-20-26-35-46-64;23-17(16-4-2-1-3-5-16)12-22-21(13-30-9-6-18(24)25,14-31-10-7-19(26)27)15-32-11-8-20(28)29;1-7-13-12(19-8(2)15-13)5-11(6-18-9(3)16)14(7)20-10(4)17;13-11-9-7-5-3-1-2-4-6-8-10-12-14;13-11(14)7-4-8-12(15)16-9-10-5-2-1-3-6-10/h39-41,48-49,72-77,85-86,89-90,92-94,96-97,100H,13-38,42-47,50-71H2,1-12H3,(H,99,113)(H,101,104)(H,102,105)(H,103,106);66-71,78-80,83-85,87-89H,13-65,91H2,1-12H3,(H,92,104)(H,93,96)(H,94,97)(H,95,98);27-29,36-37,61-64H,1-26,30-35,38-53H2,(H,60,68);1-5,22H,6-15H2,(H,24,25)(H,26,27)(H,28,29);7,11-14H,5-6H2,1-4H3;14H,1-13H2;1-3,5-6H,4,7-9H2,(H,13,14).
What are the key properties of [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?
[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 has a molecular weight of 5490.64 g/mol, XLogP of 51.56, 236 rotatable bonds, 22 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 161120920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).