2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate

C281H544F3N11O28 — CID 157234110

IUPAC2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate
SMILESCCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCC(=O)OCCCCC.CCCCCCCCCN(C)C(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCC(F)(F)F.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCCC(N)C(=O)O.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCN1CCN(Cc2ccc(C)cc2)CC1.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCN1CCOCC1
InChIInChI=1S/C56H103N3O4.C48H94N2O6.C48H94N2O5.C46H88F3NO4.C45H90N2O4.C38H75NO5/c1-5-8-11-14-17-26-33-50-62-55(60)36-29-22-18-24-31-42-57(44-45-58-46-48-59(49-47-58)51-53-40-38-52(4)39-41-53)43-32-25-19-23-30-37-56(61)63-54(34-27-20-15-12-9-6-2)35-28-21-16-13-10-7-3;1-4-7-10-13-16-25-34-43-55-46(51)38-28-21-17-23-31-40-50(42-33-30-37-45(49)48(53)54)41-32-24-18-22-29-39-47(52)56-44(35-26-19-14-11-8-5-2)36-27-20-15-12-9-6-3;1-4-7-10-13-16-25-32-43-54-47(51)35-28-21-17-23-30-37-49(39-40-50-41-44-53-45-42-50)38-31-24-18-22-29-36-48(52)55-46(33-26-19-14-11-8-5-2)34-27-20-15-12-9-6-3;1-4-7-10-13-16-25-32-42-53-44(51)36-28-21-17-23-30-39-50(41-33-38-46(47,48)49)40-31-24-18-22-29-37-45(52)54-43(34-26-19-14-11-8-5-2)35-27-20-15-12-9-6-3;1-5-8-11-14-17-24-31-38-46(4)44(49)36-29-22-18-25-32-39-47(41-42-48)40-33-26-19-23-30-37-45(50)51-43(34-27-20-15-12-9-6-2)35-28-21-16-13-10-7-3;1-4-7-10-12-15-20-27-36(28-21-16-13-11-8-5-2)44-38(42)30-22-17-14-18-24-31-39(33-34-40)32-25-19-23-29-37(41)43-35-26-9-6-3/h38-41,54H,5-37,42-51H2,1-4H3;44-45H,4-43,49H2,1-3H3,(H,53,54);46H,4-45H2,1-3H3;43H,4-42H2,1-3H3;43,48H,5-42H2,1-4H3;36,40H,4-35H2,1-3H3
InChIKeyAULAPEPPAYJUFD-UHFFFAOYSA-N
MW4582.49 g/mol
LogP79.00
Rot. Bonds249

About 2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate

2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate (PubChem CID 157234110) has the molecular formula C281H544F3N11O28 and a molecular weight of 4582.49 g/mol. Its IUPAC name is 2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate.

Molecular Properties

Compound Name2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate
PubChem CID157234110
Molecular FormulaC281H544F3N11O28
Molecular Weight4582.49 g/mol
Exact Mass4579.14
IUPAC Name2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate
SMILESCCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCC(=O)OCCCCC.CCCCCCCCCN(C)C(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCC(F)(F)F.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCCC(N)C(=O)O.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCN1CCN(Cc2ccc(C)cc2)CC1.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCN1CCOCC1
InChIInChI=1S/C56H103N3O4.C48H94N2O6.C48H94N2O5.C46H88F3NO4.C45H90N2O4.C38H75NO5/c1-5-8-11-14-17-26-33-50-62-55(60)36-29-22-18-24-31-42-57(44-45-58-46-48-59(49-47-58)51-53-40-38-52(4)39-41-53)43-32-25-19-23-30-37-56(61)63-54(34-27-20-15-12-9-6-2)35-28-21-16-13-10-7-3;1-4-7-10-13-16-25-34-43-55-46(51)38-28-21-17-23-31-40-50(42-33-30-37-45(49)48(53)54)41-32-24-18-22-29-39-47(52)56-44(35-26-19-14-11-8-5-2)36-27-20-15-12-9-6-3;1-4-7-10-13-16-25-32-43-54-47(51)35-28-21-17-23-30-37-49(39-40-50-41-44-53-45-42-50)38-31-24-18-22-29-36-48(52)55-46(33-26-19-14-11-8-5-2)34-27-20-15-12-9-6-3;1-4-7-10-13-16-25-32-42-53-44(51)36-28-21-17-23-30-39-50(41-33-38-46(47,48)49)40-31-24-18-22-29-37-45(52)54-43(34-26-19-14-11-8-5-2)35-27-20-15-12-9-6-3;1-5-8-11-14-17-24-31-38-46(4)44(49)36-29-22-18-25-32-39-47(41-42-48)40-33-26-19-23-30-37-45(50)51-43(34-27-20-15-12-9-6-2)35-28-21-16-13-10-7-3;1-4-7-10-12-15-20-27-36(28-21-16-13-11-8-5-2)44-38(42)30-22-17-14-18-24-31-39(33-34-40)32-25-19-23-29-37(41)43-35-26-9-6-3/h38-41,54H,5-37,42-51H2,1-4H3;44-45H,4-43,49H2,1-3H3,(H,53,54);46H,4-45H2,1-3H3;43H,4-42H2,1-3H3;43,48H,5-42H2,1-4H3;36,40H,4-35H2,1-3H3
InChIKeyAULAPEPPAYJUFD-UHFFFAOYSA-N
XLogP79.00
TPSA451.78 Ų
H-Bond Donors4
H-Bond Acceptors37
Rotatable Bonds249
Heavy Atoms323
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004582.49
LogP ≤ 579.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate with MolForge

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Launch Full Analysis

Related Compounds

2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate
CID 158006579
heptadecan-9-yl 8-[2-hydroxyethyl-[6-[methyl(octyl)amino]-6-oxohexyl]amino]octanoate;tridecan-7-yl 10-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]decanoate
CID 161496164
4-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]butan-2-yl tetradecanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octan-2-yl decanoate;3-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]propyl tetradecanoate;nonyl 8-[2-(1,3-dioxoisoindol-2-yl)ethyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(4-methylpiperazin-1-yl)ethyl]amino]octanoate
CID 159457100
4-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]butan-2-yl tetradecanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octan-2-yl decanoate;methane;nonyl 8-[2-(1,3-dioxoisoindol-2-yl)ethyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(4-methylpiperazin-1-yl)ethyl]amino]octanoate
CID 157325180
heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(octyl)amino]-8-oxooctyl]amino]octanoate;nonyl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate
CID 167695416
pentyl 8-[2-(4-methylpiperazin-1-yl)ethyl-(8-oxo-8-tetradecan-7-yloxyoctyl)amino]octanoate
CID 167418965
4-(4-hexylphenyl)butyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate
CID 169030231
hexadecan-8-yl 8-[[8-[hexyl(methyl)amino]-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate
CID 155278526
heptyl 8-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]octanoate
CID 155278365
heptadecan-9-yl 8-[2-hydroxyethyl-(7-nonoxy-7-oxoheptyl)amino]octanoate
CID 163297077
heptyl 8-[(7-heptadecan-9-yloxy-7-oxoheptyl)-(2-hydroxyethyl)amino]octanoate
CID 163297074
nonyl 7-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]heptanoate
CID 163297080

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate?
The IUPAC name of 2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate (CID 157234110) is 2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate.
What is the SMILES notation for 2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate?
The canonical SMILES for 2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate is CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCC(=O)OCCCCC.CCCCCCCCCN(C)C(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCC(F)(F)F.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCCC(N)C(=O)O.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCN1CCN(Cc2ccc(C)cc2)CC1.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCN1CCOCC1.
What is the InChIKey of 2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate?
The InChIKey is AULAPEPPAYJUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H103N3O4.C48H94N2O6.C48H94N2O5.C46H88F3NO4.C45H90N2O4.C38H75NO5/c1-5-8-11-14-17-26-33-50-62-55(60)36-29-22-18-24-31-42-57(44-45-58-46-48-59(49-47-58)51-53-40-38-52(4)39-41-53)43-32-25-19-23-30-37-56(61)63-54(34-27-20-15-12-9-6-2)35-28-21-16-13-10-7-3;1-4-7-10-13-16-25-34-43-55-46(51)38-28-21-17-23-31-40-50(42-33-30-37-45(49)48(53)54)41-32-24-18-22-29-39-47(52)56-44(35-26-19-14-11-8-5-2)36-27-20-15-12-9-6-3;1-4-7-10-13-16-25-32-43-54-47(51)35-28-21-17-23-30-37-49(39-40-50-41-44-53-45-42-50)38-31-24-18-22-29-36-48(52)55-46(33-26-19-14-11-8-5-2)34-27-20-15-12-9-6-3;1-4-7-10-13-16-25-32-42-53-44(51)36-28-21-17-23-30-39-50(41-33-38-46(47,48)49)40-31-24-18-22-29-37-45(52)54-43(34-26-19-14-11-8-5-2)35-27-20-15-12-9-6-3;1-5-8-11-14-17-24-31-38-46(4)44(49)36-29-22-18-25-32-39-47(41-42-48)40-33-26-19-23-30-37-45(50)51-43(34-27-20-15-12-9-6-2)35-28-21-16-13-10-7-3;1-4-7-10-12-15-20-27-36(28-21-16-13-11-8-5-2)44-38(42)30-22-17-14-18-24-31-39(33-34-40)32-25-19-23-29-37(41)43-35-26-9-6-3/h38-41,54H,5-37,42-51H2,1-4H3;44-45H,4-43,49H2,1-3H3,(H,53,54);46H,4-45H2,1-3H3;43H,4-42H2,1-3H3;43,48H,5-42H2,1-4H3;36,40H,4-35H2,1-3H3.
What are the key properties of 2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate?
2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate has a molecular weight of 4582.49 g/mol, XLogP of 79.00, 249 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate is sourced from PubChem (CID 157234110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).