N-[(1S,2S)-2-[8-[4,5-dioctyl-2-[7-oxo-7-[[(1S,2R)-2-(9,10,16-trihydroxyhexadecanoylamino)cyclohexyl]amino]heptyl]cyclohexyl]-2-oxooctyl]cyclohexyl]-9,10-dihydroxyheptadecanamide;12-hydroxy-N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(12-hydroxyoctadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide;methane;N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(octadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide

C254H485N9O19 — CID 160858674

IUPACN-[(1S,2S)-2-[8-[4,5-dioctyl-2-[7-oxo-7-[[(1S,2R)-2-(9,10,16-trihydroxyhexadecanoylamino)cyclohexyl]amino]heptyl]cyclohexyl]-2-oxooctyl]cyclohexyl]-9,10-dihydroxyheptadecanamide;12-hydroxy-N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(12-hydroxyoctadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide;methane;N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(octadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide
SMILESC.C.CCCCCCCCC1CC(CCCCCCC(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CCCCCCCC(O)C(O)CCCCCCC)C(CCCCCCC(=O)N[C@H]2CCCC[C@H]2NC(=O)CCCCCCCC(O)C(O)CCCCCCO)CC1CCCCCCCC.CCCCCCCCC1CC(CCCCCCC(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CCCCCCCCCCC(O)CCCCCC)C(CCCCCCC(=O)N[C@H]2CCCC[C@H]2NC(=O)CCCCCCCCCCC(O)CCCCCC)CC1CCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)N[C@H]1CCCC[C@H]1CC(=O)CCCCCCC1CC(CCCCCCCC)C(CCCCCCCC)CC1CCCCCCC(=O)N[C@H]1CCCC[C@H]1NC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C85H161N3O6.C85H161N3O4.C82H155N3O9.2CH4/c1-5-9-13-17-27-37-53-72-69-74(55-39-33-35-45-62-79(91)71-76-57-49-50-63-80(76)86-83(92)66-46-31-25-21-19-23-29-43-60-77(89)58-41-15-11-7-3)75(70-73(72)54-38-28-18-14-10-6-2)56-40-34-36-48-68-85(94)88-82-65-52-51-64-81(82)87-84(93)67-47-32-26-22-20-24-30-44-61-78(90)59-42-16-12-8-4;1-5-9-13-17-21-23-25-27-29-31-33-35-37-41-52-68-83(90)86-80-65-56-55-63-78(80)73-79(89)64-51-45-43-49-61-76-71-74(59-47-39-19-15-11-7-3)75(60-48-40-20-16-12-8-4)72-77(76)62-50-44-46-54-70-85(92)88-82-67-58-57-66-81(82)87-84(91)69-53-42-38-36-34-32-30-28-26-24-22-18-14-10-6-2;1-4-7-10-13-18-30-47-67-64-69(49-32-24-26-34-52-72(87)66-71-51-42-43-53-73(71)83-80(92)60-39-22-15-20-36-57-77(89)76(88)56-35-17-12-9-6-3)70(65-68(67)48-31-19-14-11-8-5-2)50-33-25-27-41-62-82(94)85-75-55-45-44-54-74(75)84-81(93)61-40-23-16-21-37-58-78(90)79(91)59-38-28-29-46-63-86;;/h72-78,80-82,89-90H,5-71H2,1-4H3,(H,86,92)(H,87,93)(H,88,94);74-78,80-82H,5-73H2,1-4H3,(H,86,90)(H,87,91)(H,88,92);67-71,73-79,86,88-91H,4-66H2,1-3H3,(H,83,92)(H,84,93)(H,85,94);2*1H4/t72?,73?,74?,75?,76-,77?,78?,80-,81+,82-;74?,75?,76?,77?,78-,80-,81+,82-;67?,68?,69?,70?,71-,73-,74+,75-,76?,77?,78?,79?;;/m000../s1
InChIKeySKESVPBFDMJHDX-GKONXWSKSA-N
MW3969.72 g/mol
LogP71.28
Rot. Bonds193

About N-[(1S,2S)-2-[8-[4,5-dioctyl-2-[7-oxo-7-[[(1S,2R)-2-(9,10,16-trihydroxyhexadecanoylamino)cyclohexyl]amino]heptyl]cyclohexyl]-2-oxooctyl]cyclohexyl]-9,10-dihydroxyheptadecanamide;12-hydroxy-N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(12-hydroxyoctadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide;methane;N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(octadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide

N-[(1S,2S)-2-[8-[4,5-dioctyl-2-[7-oxo-7-[[(1S,2R)-2-(9,10,16-trihydroxyhexadecanoylamino)cyclohexyl]amino]heptyl]cyclohexyl]-2-oxooctyl]cyclohexyl]-9,10-dihydroxyheptadecanamide;12-hydroxy-N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(12-hydroxyoctadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide;methane;N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(octadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide (PubChem CID 160858674) has the molecular formula C254H485N9O19 and a molecular weight of 3969.72 g/mol. Its IUPAC name is N-[(1S,2S)-2-[8-[4,5-dioctyl-2-[7-oxo-7-[[(1S,2R)-2-(9,10,16-trihydroxyhexadecanoylamino)cyclohexyl]amino]heptyl]cyclohexyl]-2-oxooctyl]cyclohexyl]-9,10-dihydroxyheptadecanamide;12-hydroxy-N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(12-hydroxyoctadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide;methane;N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(octadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-[8-[4,5-dioctyl-2-[7-oxo-7-[[(1S,2R)-2-(9,10,16-trihydroxyhexadecanoylamino)cyclohexyl]amino]heptyl]cyclohexyl]-2-oxooctyl]cyclohexyl]-9,10-dihydroxyheptadecanamide;12-hydroxy-N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(12-hydroxyoctadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide;methane;N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(octadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide
PubChem CID160858674
Molecular FormulaC254H485N9O19
Molecular Weight3969.72 g/mol
Exact Mass3966.73
IUPAC NameN-[(1S,2S)-2-[8-[4,5-dioctyl-2-[7-oxo-7-[[(1S,2R)-2-(9,10,16-trihydroxyhexadecanoylamino)cyclohexyl]amino]heptyl]cyclohexyl]-2-oxooctyl]cyclohexyl]-9,10-dihydroxyheptadecanamide;12-hydroxy-N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(12-hydroxyoctadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide;methane;N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(octadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide
SMILESC.C.CCCCCCCCC1CC(CCCCCCC(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CCCCCCCC(O)C(O)CCCCCCC)C(CCCCCCC(=O)N[C@H]2CCCC[C@H]2NC(=O)CCCCCCCC(O)C(O)CCCCCCO)CC1CCCCCCCC.CCCCCCCCC1CC(CCCCCCC(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CCCCCCCCCCC(O)CCCCCC)C(CCCCCCC(=O)N[C@H]2CCCC[C@H]2NC(=O)CCCCCCCCCCC(O)CCCCCC)CC1CCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)N[C@H]1CCCC[C@H]1CC(=O)CCCCCCC1CC(CCCCCCCC)C(CCCCCCCC)CC1CCCCCCC(=O)N[C@H]1CCCC[C@H]1NC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C85H161N3O6.C85H161N3O4.C82H155N3O9.2CH4/c1-5-9-13-17-27-37-53-72-69-74(55-39-33-35-45-62-79(91)71-76-57-49-50-63-80(76)86-83(92)66-46-31-25-21-19-23-29-43-60-77(89)58-41-15-11-7-3)75(70-73(72)54-38-28-18-14-10-6-2)56-40-34-36-48-68-85(94)88-82-65-52-51-64-81(82)87-84(93)67-47-32-26-22-20-24-30-44-61-78(90)59-42-16-12-8-4;1-5-9-13-17-21-23-25-27-29-31-33-35-37-41-52-68-83(90)86-80-65-56-55-63-78(80)73-79(89)64-51-45-43-49-61-76-71-74(59-47-39-19-15-11-7-3)75(60-48-40-20-16-12-8-4)72-77(76)62-50-44-46-54-70-85(92)88-82-67-58-57-66-81(82)87-84(91)69-53-42-38-36-34-32-30-28-26-24-22-18-14-10-6-2;1-4-7-10-13-18-30-47-67-64-69(49-32-24-26-34-52-72(87)66-71-51-42-43-53-73(71)83-80(92)60-39-22-15-20-36-57-77(89)76(88)56-35-17-12-9-6-3)70(65-68(67)48-31-19-14-11-8-5-2)50-33-25-27-41-62-82(94)85-75-55-45-44-54-74(75)84-81(93)61-40-23-16-21-37-58-78(90)79(91)59-38-28-29-46-63-86;;/h72-78,80-82,89-90H,5-71H2,1-4H3,(H,86,92)(H,87,93)(H,88,94);74-78,80-82H,5-73H2,1-4H3,(H,86,90)(H,87,91)(H,88,92);67-71,73-79,86,88-91H,4-66H2,1-3H3,(H,83,92)(H,84,93)(H,85,94);2*1H4/t72?,73?,74?,75?,76-,77?,78?,80-,81+,82-;74?,75?,76?,77?,78-,80-,81+,82-;67?,68?,69?,70?,71-,73-,74+,75-,76?,77?,78?,79?;;/m000../s1
InChIKeySKESVPBFDMJHDX-GKONXWSKSA-N
XLogP71.28
TPSA454.72 Ų
H-Bond Donors16
H-Bond Acceptors19
Rotatable Bonds193
Heavy Atoms282
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003969.72
LogP ≤ 571.28
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze N-[(1S,2S)-2-[8-[4,5-dioctyl-2-[7-oxo-7-[[(1S,2R)-2-(9,10,16-trihydroxyhexadecanoylamino)cyclohexyl]amino]heptyl]cyclohexyl]-2-oxooctyl]cyclohexyl]-9,10-dihydroxyheptadecanamide;12-hydroxy-N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(12-hydroxyoctadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide;methane;N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(octadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,2R)-2-[7-[4,5-dioctyl-2-(7-oxoheptyl)cyclohexyl]heptanoylamino]cyclohexyl]-12-hydroxyoctadecanamide
CID 88941525
2-butyl-N-[(1S,2S)-2-[7-[2-[8-[(1S,2S)-2-(3-butyl-2-oxononyl)cyclohexyl]-7-oxooctyl]-4,5-dioctylcyclohexyl]heptanoylamino]cyclohexyl]octanamide
CID 123155855
12-hydroxy-N-[(1S,2R)-2-[7-[3-[7-[[(1S,2R)-2-(12-hydroxyoctadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-5,7-dioctylcyclooctyl]heptanoylamino]cyclohexyl]octadecanamide
CID 58184284
12-hydroxy-N-[[(2S)-2-(12-hydroxyoctadecanoylamino)cyclohexyl]methyl]octadecanamide
CID 159064476
N-[2-(dodecanoylamino)cyclohexyl]dodecanamide
CID 10299379
N-[2-(hydroxymethyl)cyclopentyl]nonanamide
CID 103774038
N-[13-(2-hexylcyclopropyl)-4-hydroxytridecan-3-yl]hexadecanamide
CID 58241411
7-[(1R,2S)-2-octylcyclopentyl]heptane-1,6-diol
CID 54492785
N-[(1R,2R)-2-aminocyclohexyl]decanamide
CID 103805740
N-[(1R,2R)-2-aminocyclohexyl]nonanamide
CID 103805764
N-[(1R,2R)-2-acetamidocyclohexyl]dodecanamide
CID 158939000
10,11-dihydroxyheptadecan-2-one;10,17-dihydroxyheptadecan-2-one;11,17-dihydroxyheptadecan-2-one;9-(3-hexyloxiran-2-yl)nonan-2-one;10-hydroxyheptadecan-2-one;11-hydroxyheptadecan-2-one;17-hydroxyheptadecan-2-one;10,11,17-trihydroxyheptadecan-2-one
CID 158349783

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[8-[4,5-dioctyl-2-[7-oxo-7-[[(1S,2R)-2-(9,10,16-trihydroxyhexadecanoylamino)cyclohexyl]amino]heptyl]cyclohexyl]-2-oxooctyl]cyclohexyl]-9,10-dihydroxyheptadecanamide;12-hydroxy-N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(12-hydroxyoctadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide;methane;N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(octadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide?
The IUPAC name of N-[(1S,2S)-2-[8-[4,5-dioctyl-2-[7-oxo-7-[[(1S,2R)-2-(9,10,16-trihydroxyhexadecanoylamino)cyclohexyl]amino]heptyl]cyclohexyl]-2-oxooctyl]cyclohexyl]-9,10-dihydroxyheptadecanamide;12-hydroxy-N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(12-hydroxyoctadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide;methane;N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(octadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide (CID 160858674) is N-[(1S,2S)-2-[8-[4,5-dioctyl-2-[7-oxo-7-[[(1S,2R)-2-(9,10,16-trihydroxyhexadecanoylamino)cyclohexyl]amino]heptyl]cyclohexyl]-2-oxooctyl]cyclohexyl]-9,10-dihydroxyheptadecanamide;12-hydroxy-N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(12-hydroxyoctadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide;methane;N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(octadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide.
What is the SMILES notation for N-[(1S,2S)-2-[8-[4,5-dioctyl-2-[7-oxo-7-[[(1S,2R)-2-(9,10,16-trihydroxyhexadecanoylamino)cyclohexyl]amino]heptyl]cyclohexyl]-2-oxooctyl]cyclohexyl]-9,10-dihydroxyheptadecanamide;12-hydroxy-N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(12-hydroxyoctadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide;methane;N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(octadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide?
The canonical SMILES for N-[(1S,2S)-2-[8-[4,5-dioctyl-2-[7-oxo-7-[[(1S,2R)-2-(9,10,16-trihydroxyhexadecanoylamino)cyclohexyl]amino]heptyl]cyclohexyl]-2-oxooctyl]cyclohexyl]-9,10-dihydroxyheptadecanamide;12-hydroxy-N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(12-hydroxyoctadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide;methane;N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(octadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide is C.C.CCCCCCCCC1CC(CCCCCCC(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CCCCCCCC(O)C(O)CCCCCCC)C(CCCCCCC(=O)N[C@H]2CCCC[C@H]2NC(=O)CCCCCCCC(O)C(O)CCCCCCO)CC1CCCCCCCC.CCCCCCCCC1CC(CCCCCCC(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CCCCCCCCCCC(O)CCCCCC)C(CCCCCCC(=O)N[C@H]2CCCC[C@H]2NC(=O)CCCCCCCCCCC(O)CCCCCC)CC1CCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)N[C@H]1CCCC[C@H]1CC(=O)CCCCCCC1CC(CCCCCCCC)C(CCCCCCCC)CC1CCCCCCC(=O)N[C@H]1CCCC[C@H]1NC(=O)CCCCCCCCCCCCCCCCC.
What is the InChIKey of N-[(1S,2S)-2-[8-[4,5-dioctyl-2-[7-oxo-7-[[(1S,2R)-2-(9,10,16-trihydroxyhexadecanoylamino)cyclohexyl]amino]heptyl]cyclohexyl]-2-oxooctyl]cyclohexyl]-9,10-dihydroxyheptadecanamide;12-hydroxy-N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(12-hydroxyoctadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide;methane;N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(octadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide?
The InChIKey is SKESVPBFDMJHDX-GKONXWSKSA-N. The full InChI is InChI=1S/C85H161N3O6.C85H161N3O4.C82H155N3O9.2CH4/c1-5-9-13-17-27-37-53-72-69-74(55-39-33-35-45-62-79(91)71-76-57-49-50-63-80(76)86-83(92)66-46-31-25-21-19-23-29-43-60-77(89)58-41-15-11-7-3)75(70-73(72)54-38-28-18-14-10-6-2)56-40-34-36-48-68-85(94)88-82-65-52-51-64-81(82)87-84(93)67-47-32-26-22-20-24-30-44-61-78(90)59-42-16-12-8-4;1-5-9-13-17-21-23-25-27-29-31-33-35-37-41-52-68-83(90)86-80-65-56-55-63-78(80)73-79(89)64-51-45-43-49-61-76-71-74(59-47-39-19-15-11-7-3)75(60-48-40-20-16-12-8-4)72-77(76)62-50-44-46-54-70-85(92)88-82-67-58-57-66-81(82)87-84(91)69-53-42-38-36-34-32-30-28-26-24-22-18-14-10-6-2;1-4-7-10-13-18-30-47-67-64-69(49-32-24-26-34-52-72(87)66-71-51-42-43-53-73(71)83-80(92)60-39-22-15-20-36-57-77(89)76(88)56-35-17-12-9-6-3)70(65-68(67)48-31-19-14-11-8-5-2)50-33-25-27-41-62-82(94)85-75-55-45-44-54-74(75)84-81(93)61-40-23-16-21-37-58-78(90)79(91)59-38-28-29-46-63-86;;/h72-78,80-82,89-90H,5-71H2,1-4H3,(H,86,92)(H,87,93)(H,88,94);74-78,80-82H,5-73H2,1-4H3,(H,86,90)(H,87,91)(H,88,92);67-71,73-79,86,88-91H,4-66H2,1-3H3,(H,83,92)(H,84,93)(H,85,94);2*1H4/t72?,73?,74?,75?,76-,77?,78?,80-,81+,82-;74?,75?,76?,77?,78-,80-,81+,82-;67?,68?,69?,70?,71-,73-,74+,75-,76?,77?,78?,79?;;/m000../s1.
What are the key properties of N-[(1S,2S)-2-[8-[4,5-dioctyl-2-[7-oxo-7-[[(1S,2R)-2-(9,10,16-trihydroxyhexadecanoylamino)cyclohexyl]amino]heptyl]cyclohexyl]-2-oxooctyl]cyclohexyl]-9,10-dihydroxyheptadecanamide;12-hydroxy-N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(12-hydroxyoctadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide;methane;N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(octadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide?
N-[(1S,2S)-2-[8-[4,5-dioctyl-2-[7-oxo-7-[[(1S,2R)-2-(9,10,16-trihydroxyhexadecanoylamino)cyclohexyl]amino]heptyl]cyclohexyl]-2-oxooctyl]cyclohexyl]-9,10-dihydroxyheptadecanamide;12-hydroxy-N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(12-hydroxyoctadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide;methane;N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(octadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide has a molecular weight of 3969.72 g/mol, XLogP of 71.28, 193 rotatable bonds, 16 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-[8-[4,5-dioctyl-2-[7-oxo-7-[[(1S,2R)-2-(9,10,16-trihydroxyhexadecanoylamino)cyclohexyl]amino]heptyl]cyclohexyl]-2-oxooctyl]cyclohexyl]-9,10-dihydroxyheptadecanamide;12-hydroxy-N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(12-hydroxyoctadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide;methane;N-[(1S,2S)-2-[8-[2-[7-[[(1S,2R)-2-(octadecanoylamino)cyclohexyl]amino]-7-oxoheptyl]-4,5-dioctylcyclohexyl]-2-oxooctyl]cyclohexyl]octadecanamide is sourced from PubChem (CID 160858674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).