6-[bis[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]-2-[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoyl]oxyhexanoic acid;[6-[bis[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methylhexanoate;[6-[bis[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate;2-[2-hydroxy-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoyl]oxy-6-[2-trimethylsilyloxydodecyl-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoic acid

C296H594N8O30Si9 — CID 159987025

IUPAC6-[bis[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]-2-[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoyl]oxyhexanoic acid;[6-[bis[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methylhexanoate;[6-[bis[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate;2-[2-hydroxy-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoyl]oxy-6-[2-trimethylsilyloxydodecyl-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoic acid
SMILESCCCCCCCCCCC(CN(CCCCC(OC(=O)C(O)CCCCN(C[C@H](C)CCCCCCCCCC)C[C@@H](CCCCCCCCCC)O[Si](C)(C)C)C(=O)O)C[C@@H](CCCCCCCCCC)O[Si](C)(C)C)O[Si](C)(C)C.CCCCCCCCCC[C@@H](C)CN(CCCCC(C)C(=O)OC(CCCCN(C[C@@H](CCCCCCCCCC)O[Si](C)(C)C(C)(C)C)C[C@@H](CCCCCCCCCC)O[Si](C)(C)C(C)(C)C)C(=O)O)C[C@@H](CCCCCCCCCC)O[Si](C)(C)C(C)(C)C.CCCCCCCCCC[C@@H](C)CN(CCCCC(C)C(=O)OC(CCCCN(C[C@@H](CCCCCCCCCC)O[Si](C)(C)C)C[C@@H](CCCCCCCCCC)O[Si](C)(C)C)C(=O)OCc1ccccc1)C[C@@H](CCCCCCCCCC)O[Si](C)(C)C.CCCCCCCCCC[C@@H](O)CN(CCCCC(C)C(=O)OC(CCCCN(C[C@H](O)CCCCCCCCCC)C[C@H](O)CCCCCCCCCC)C(=O)OCc1ccccc1)C[C@H](O)CCCCCCCCCC
InChIInChI=1S/C80H166N2O7Si3.C78H154N2O7Si3.C70H146N2O8Si3.C68H128N2O8/c1-22-26-30-34-38-42-46-50-58-70(5)66-81(67-72(87-90(16,17)78(7,8)9)60-51-47-43-39-35-31-27-23-2)64-56-54-59-71(6)77(85)86-75(76(83)84)63-55-57-65-82(68-73(88-91(18,19)79(10,11)12)61-52-48-44-40-36-32-28-24-3)69-74(89-92(20,21)80(13,14)15)62-53-49-45-41-37-33-29-25-4;1-16-20-24-28-32-36-40-45-55-70(5)65-79(66-73(85-88(7,8)9)59-48-41-37-33-29-25-21-17-2)63-53-51-56-71(6)77(81)84-76(78(82)83-69-72-57-46-44-47-58-72)62-52-54-64-80(67-74(86-89(10,11)12)60-49-42-38-34-30-26-22-18-3)68-75(87-90(13,14)15)61-50-43-39-35-31-27-23-19-4;1-15-19-23-27-31-35-39-43-51-63(5)59-71(60-64(78-81(6,7)8)52-44-40-36-32-28-24-20-16-2)57-49-47-55-67(73)70(76)77-68(69(74)75)56-48-50-58-72(61-65(79-82(9,10)11)53-45-41-37-33-29-25-21-17-3)62-66(80-83(12,13)14)54-46-42-38-34-30-26-22-18-4;1-6-10-14-18-22-26-30-37-48-62(71)55-69(56-63(72)49-38-31-27-23-19-15-11-7-2)53-43-41-45-60(5)67(75)78-66(68(76)77-59-61-46-35-34-36-47-61)52-42-44-54-70(57-64(73)50-39-32-28-24-20-16-12-8-3)58-65(74)51-40-33-29-25-21-17-13-9-4/h70-75H,22-69H2,1-21H3,(H,83,84);44,46-47,57-58,70-71,73-76H,16-43,45,48-56,59-69H2,1-15H3;63-68,73H,15-62H2,1-14H3,(H,74,75);34-36,46-47,60,62-66,71-74H,6-33,37-45,48-59H2,1-5H3/t70-,71?,72-,73-,74-,75?;70-,71?,73-,74-,75-,76?;63-,64-,65-,66?,67?,68?;60?,62-,63-,64-,65-,66?/m1111/s1
InChIKeyOGLVCUIVPVNEOQ-PAZZGFEZSA-N
MW4998.81 g/mol
LogP86.63
Rot. Bonds250

About 6-[bis[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]-2-[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoyl]oxyhexanoic acid;[6-[bis[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methylhexanoate;[6-[bis[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate;2-[2-hydroxy-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoyl]oxy-6-[2-trimethylsilyloxydodecyl-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoic acid

6-[bis[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]-2-[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoyl]oxyhexanoic acid;[6-[bis[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methylhexanoate;[6-[bis[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate;2-[2-hydroxy-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoyl]oxy-6-[2-trimethylsilyloxydodecyl-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoic acid (PubChem CID 159987025) has the molecular formula C296H594N8O30Si9 and a molecular weight of 4998.81 g/mol. Its IUPAC name is 6-[bis[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]-2-[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoyl]oxyhexanoic acid;[6-[bis[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methylhexanoate;[6-[bis[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate;2-[2-hydroxy-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoyl]oxy-6-[2-trimethylsilyloxydodecyl-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[bis[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]-2-[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoyl]oxyhexanoic acid;[6-[bis[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methylhexanoate;[6-[bis[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate;2-[2-hydroxy-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoyl]oxy-6-[2-trimethylsilyloxydodecyl-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoic acid
PubChem CID159987025
Molecular FormulaC296H594N8O30Si9
Molecular Weight4998.81 g/mol
Exact Mass4994.31
IUPAC Name6-[bis[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]-2-[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoyl]oxyhexanoic acid;[6-[bis[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methylhexanoate;[6-[bis[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate;2-[2-hydroxy-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoyl]oxy-6-[2-trimethylsilyloxydodecyl-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoic acid
SMILESCCCCCCCCCCC(CN(CCCCC(OC(=O)C(O)CCCCN(C[C@H](C)CCCCCCCCCC)C[C@@H](CCCCCCCCCC)O[Si](C)(C)C)C(=O)O)C[C@@H](CCCCCCCCCC)O[Si](C)(C)C)O[Si](C)(C)C.CCCCCCCCCC[C@@H](C)CN(CCCCC(C)C(=O)OC(CCCCN(C[C@@H](CCCCCCCCCC)O[Si](C)(C)C(C)(C)C)C[C@@H](CCCCCCCCCC)O[Si](C)(C)C(C)(C)C)C(=O)O)C[C@@H](CCCCCCCCCC)O[Si](C)(C)C(C)(C)C.CCCCCCCCCC[C@@H](C)CN(CCCCC(C)C(=O)OC(CCCCN(C[C@@H](CCCCCCCCCC)O[Si](C)(C)C)C[C@@H](CCCCCCCCCC)O[Si](C)(C)C)C(=O)OCc1ccccc1)C[C@@H](CCCCCCCCCC)O[Si](C)(C)C.CCCCCCCCCC[C@@H](O)CN(CCCCC(C)C(=O)OC(CCCCN(C[C@H](O)CCCCCCCCCC)C[C@H](O)CCCCCCCCCC)C(=O)OCc1ccccc1)C[C@H](O)CCCCCCCCCC
InChIInChI=1S/C80H166N2O7Si3.C78H154N2O7Si3.C70H146N2O8Si3.C68H128N2O8/c1-22-26-30-34-38-42-46-50-58-70(5)66-81(67-72(87-90(16,17)78(7,8)9)60-51-47-43-39-35-31-27-23-2)64-56-54-59-71(6)77(85)86-75(76(83)84)63-55-57-65-82(68-73(88-91(18,19)79(10,11)12)61-52-48-44-40-36-32-28-24-3)69-74(89-92(20,21)80(13,14)15)62-53-49-45-41-37-33-29-25-4;1-16-20-24-28-32-36-40-45-55-70(5)65-79(66-73(85-88(7,8)9)59-48-41-37-33-29-25-21-17-2)63-53-51-56-71(6)77(81)84-76(78(82)83-69-72-57-46-44-47-58-72)62-52-54-64-80(67-74(86-89(10,11)12)60-49-42-38-34-30-26-22-18-3)68-75(87-90(13,14)15)61-50-43-39-35-31-27-23-19-4;1-15-19-23-27-31-35-39-43-51-63(5)59-71(60-64(78-81(6,7)8)52-44-40-36-32-28-24-20-16-2)57-49-47-55-67(73)70(76)77-68(69(74)75)56-48-50-58-72(61-65(79-82(9,10)11)53-45-41-37-33-29-25-21-17-3)62-66(80-83(12,13)14)54-46-42-38-34-30-26-22-18-4;1-6-10-14-18-22-26-30-37-48-62(71)55-69(56-63(72)49-38-31-27-23-19-15-11-7-2)53-43-41-45-60(5)67(75)78-66(68(76)77-59-61-46-35-34-36-47-61)52-42-44-54-70(57-64(73)50-39-32-28-24-20-16-12-8-3)58-65(74)51-40-33-29-25-21-17-13-9-4/h70-75H,22-69H2,1-21H3,(H,83,84);44,46-47,57-58,70-71,73-76H,16-43,45,48-56,59-69H2,1-15H3;63-68,73H,15-62H2,1-14H3,(H,74,75);34-36,46-47,60,62-66,71-74H,6-33,37-45,48-59H2,1-5H3/t70-,71?,72-,73-,74-,75?;70-,71?,73-,74-,75-,76?;63-,64-,65-,66?,67?,68?;60?,62-,63-,64-,65-,66?/m1111/s1
InChIKeyOGLVCUIVPVNEOQ-PAZZGFEZSA-N
XLogP86.63
TPSA442.54 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds250
Heavy Atoms343
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004998.81
LogP ≤ 586.63
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

Analyze 6-[bis[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]-2-[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoyl]oxyhexanoic acid;[6-[bis[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methylhexanoate;[6-[bis[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate;2-[2-hydroxy-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoyl]oxy-6-[2-trimethylsilyloxydodecyl-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoic acid with MolForge

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Launch Full Analysis

Related Compounds

[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[[(2R)-2-hydroxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoate
CID 159720800
[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate
CID 159720802
benzyl 6-[bis[2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]-2-hydroxyhexanoate
CID 140916959
6-[bis[2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]-2-hydroxyhexanoic acid
CID 140916956
3-[bis[2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]propyl (2S)-2-amino-3-phenylpropanoate
CID 171814466
3-[bis[2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]propyl (2S)-2-amino-4-phenylbutanoate
CID 171814486
(2S)-2-[3-[bis[(2S)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]propylamino]-4-(4-phenylmethoxyphenyl)butanoic acid
CID 178066817
2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxydecyl]-N-(5-trityloxypentyl)decan-1-amine
CID 171814705
benzyl (2S,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-5-hydroxyhexadecanoate
CID 14847011
3-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]butyl]-6-[4-[2-[tert-butyl(dimethyl)silyl]oxydodecyl-(2-methyldodecyl)amino]butyl]-1,4-dioxane-2,5-dione
CID 158151802
benzyl 2-hydroxydecanoate
CID 139390218
benzyl (2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-5-phenylmethoxyhexadecanoate
CID 58361991

Frequently Asked Questions

What is the IUPAC name of 6-[bis[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]-2-[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoyl]oxyhexanoic acid;[6-[bis[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methylhexanoate;[6-[bis[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate;2-[2-hydroxy-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoyl]oxy-6-[2-trimethylsilyloxydodecyl-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoic acid?
The IUPAC name of 6-[bis[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]-2-[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoyl]oxyhexanoic acid;[6-[bis[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methylhexanoate;[6-[bis[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate;2-[2-hydroxy-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoyl]oxy-6-[2-trimethylsilyloxydodecyl-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoic acid (CID 159987025) is 6-[bis[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]-2-[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoyl]oxyhexanoic acid;[6-[bis[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methylhexanoate;[6-[bis[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate;2-[2-hydroxy-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoyl]oxy-6-[2-trimethylsilyloxydodecyl-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoic acid.
What is the SMILES notation for 6-[bis[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]-2-[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoyl]oxyhexanoic acid;[6-[bis[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methylhexanoate;[6-[bis[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate;2-[2-hydroxy-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoyl]oxy-6-[2-trimethylsilyloxydodecyl-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoic acid?
The canonical SMILES for 6-[bis[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]-2-[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoyl]oxyhexanoic acid;[6-[bis[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methylhexanoate;[6-[bis[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate;2-[2-hydroxy-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoyl]oxy-6-[2-trimethylsilyloxydodecyl-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoic acid is CCCCCCCCCCC(CN(CCCCC(OC(=O)C(O)CCCCN(C[C@H](C)CCCCCCCCCC)C[C@@H](CCCCCCCCCC)O[Si](C)(C)C)C(=O)O)C[C@@H](CCCCCCCCCC)O[Si](C)(C)C)O[Si](C)(C)C.CCCCCCCCCC[C@@H](C)CN(CCCCC(C)C(=O)OC(CCCCN(C[C@@H](CCCCCCCCCC)O[Si](C)(C)C(C)(C)C)C[C@@H](CCCCCCCCCC)O[Si](C)(C)C(C)(C)C)C(=O)O)C[C@@H](CCCCCCCCCC)O[Si](C)(C)C(C)(C)C.CCCCCCCCCC[C@@H](C)CN(CCCCC(C)C(=O)OC(CCCCN(C[C@@H](CCCCCCCCCC)O[Si](C)(C)C)C[C@@H](CCCCCCCCCC)O[Si](C)(C)C)C(=O)OCc1ccccc1)C[C@@H](CCCCCCCCCC)O[Si](C)(C)C.CCCCCCCCCC[C@@H](O)CN(CCCCC(C)C(=O)OC(CCCCN(C[C@H](O)CCCCCCCCCC)C[C@H](O)CCCCCCCCCC)C(=O)OCc1ccccc1)C[C@H](O)CCCCCCCCCC.
What is the InChIKey of 6-[bis[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]-2-[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoyl]oxyhexanoic acid;[6-[bis[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methylhexanoate;[6-[bis[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate;2-[2-hydroxy-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoyl]oxy-6-[2-trimethylsilyloxydodecyl-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoic acid?
The InChIKey is OGLVCUIVPVNEOQ-PAZZGFEZSA-N. The full InChI is InChI=1S/C80H166N2O7Si3.C78H154N2O7Si3.C70H146N2O8Si3.C68H128N2O8/c1-22-26-30-34-38-42-46-50-58-70(5)66-81(67-72(87-90(16,17)78(7,8)9)60-51-47-43-39-35-31-27-23-2)64-56-54-59-71(6)77(85)86-75(76(83)84)63-55-57-65-82(68-73(88-91(18,19)79(10,11)12)61-52-48-44-40-36-32-28-24-3)69-74(89-92(20,21)80(13,14)15)62-53-49-45-41-37-33-29-25-4;1-16-20-24-28-32-36-40-45-55-70(5)65-79(66-73(85-88(7,8)9)59-48-41-37-33-29-25-21-17-2)63-53-51-56-71(6)77(81)84-76(78(82)83-69-72-57-46-44-47-58-72)62-52-54-64-80(67-74(86-89(10,11)12)60-49-42-38-34-30-26-22-18-3)68-75(87-90(13,14)15)61-50-43-39-35-31-27-23-19-4;1-15-19-23-27-31-35-39-43-51-63(5)59-71(60-64(78-81(6,7)8)52-44-40-36-32-28-24-20-16-2)57-49-47-55-67(73)70(76)77-68(69(74)75)56-48-50-58-72(61-65(79-82(9,10)11)53-45-41-37-33-29-25-21-17-3)62-66(80-83(12,13)14)54-46-42-38-34-30-26-22-18-4;1-6-10-14-18-22-26-30-37-48-62(71)55-69(56-63(72)49-38-31-27-23-19-15-11-7-2)53-43-41-45-60(5)67(75)78-66(68(76)77-59-61-46-35-34-36-47-61)52-42-44-54-70(57-64(73)50-39-32-28-24-20-16-12-8-3)58-65(74)51-40-33-29-25-21-17-13-9-4/h70-75H,22-69H2,1-21H3,(H,83,84);44,46-47,57-58,70-71,73-76H,16-43,45,48-56,59-69H2,1-15H3;63-68,73H,15-62H2,1-14H3,(H,74,75);34-36,46-47,60,62-66,71-74H,6-33,37-45,48-59H2,1-5H3/t70-,71?,72-,73-,74-,75?;70-,71?,73-,74-,75-,76?;63-,64-,65-,66?,67?,68?;60?,62-,63-,64-,65-,66?/m1111/s1.
What are the key properties of 6-[bis[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]-2-[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoyl]oxyhexanoic acid;[6-[bis[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methylhexanoate;[6-[bis[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate;2-[2-hydroxy-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoyl]oxy-6-[2-trimethylsilyloxydodecyl-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoic acid?
6-[bis[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]-2-[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoyl]oxyhexanoic acid;[6-[bis[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methylhexanoate;[6-[bis[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate;2-[2-hydroxy-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoyl]oxy-6-[2-trimethylsilyloxydodecyl-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoic acid has a molecular weight of 4998.81 g/mol, XLogP of 86.63, 250 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]-2-[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-methyldodecyl]amino]-2-methylhexanoyl]oxyhexanoic acid;[6-[bis[(2R)-2-hydroxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 6-[bis[(2R)-2-hydroxydodecyl]amino]-2-methylhexanoate;[6-[bis[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate;2-[2-hydroxy-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoyl]oxy-6-[2-trimethylsilyloxydodecyl-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoic acid is sourced from PubChem (CID 159987025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).