[4-[[(2R,5S)-2-(4-aminobutyl)-5-[[2-(2-ethoxyethoxy)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamate;[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] N-[2-[[4-[[(2R,5S)-2-(4-aminobutyl)-5-[(2-ethoxyacetyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate;bis(2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide);2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide

C139H234N22O43 — CID 159273977

IUPAC[4-[[(2R,5S)-2-(4-aminobutyl)-5-[[2-(2-ethoxyethoxy)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamate;[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] N-[2-[[4-[[(2R,5S)-2-(4-aminobutyl)-5-[(2-ethoxyacetyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate;bis(2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide);2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide
SMILESCCOCC(=O)N[C@H](C(=O)C[C@@H](CCCCN)C(=O)Nc1ccc(COC(=O)N(C)CCN(C)C(=O)OC(C)(C)Cn2c(COCC)nc3c(N)nc4ccccc4c32)cc1)C(C)C.CCOCCOCC(=O)N[C@H](C(=O)C[C@@H](CCCCN)C(=O)Nc1ccc(COC(=O)Nc2nc3ccccc3c3c2nc(COCC)n3CC(C)(C)O)cc1)C(C)C.CCOCCOCCOCCOCCOCCOCCOCC(=O)NN.CCOCCOCCOCCOCCOCCOCCOCC(=O)NN.CCOCCOCCOCCOCCOCCOCCOCCOCC(=O)NN
InChIInChI=1S/C46H67N9O9.C43H61N7O9.C18H38N2O9.2C16H34N2O8/c1-9-61-27-37-51-40-41(34-16-11-12-17-35(34)50-42(40)48)55(37)29-46(5,6)64-45(60)54(8)24-23-53(7)44(59)63-26-31-18-20-33(21-19-31)49-43(58)32(15-13-14-22-47)25-36(56)39(30(3)4)52-38(57)28-62-10-2;1-7-56-21-22-58-26-36(52)48-37(28(3)4)34(51)23-30(13-11-12-20-44)41(53)45-31-18-16-29(17-19-31)24-59-42(54)49-40-38-39(32-14-9-10-15-33(32)46-40)50(27-43(5,6)55)35(47-38)25-57-8-2;1-2-22-3-4-23-5-6-24-7-8-25-9-10-26-11-12-27-13-14-28-15-16-29-17-18(21)20-19;2*1-2-20-3-4-21-5-6-22-7-8-23-9-10-24-11-12-25-13-14-26-15-16(19)18-17/h11-12,16-21,30,32,39H,9-10,13-15,22-29,47H2,1-8H3,(H2,48,50)(H,49,58)(H,52,57);9-10,14-19,28,30,37,55H,7-8,11-13,20-27,44H2,1-6H3,(H,45,53)(H,48,52)(H,46,49,54);2-17,19H2,1H3,(H,20,21);2*2-15,17H2,1H3,(H,18,19)/t32-,39+;30-,37+;;;/m11.../s1
InChIKeyKYBKBPSLEIVAEB-ZXJCYCDDSA-N
MW2901.51 g/mol
LogP8.47
Rot. Bonds116

About [4-[[(2R,5S)-2-(4-aminobutyl)-5-[[2-(2-ethoxyethoxy)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamate;[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] N-[2-[[4-[[(2R,5S)-2-(4-aminobutyl)-5-[(2-ethoxyacetyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate;bis(2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide);2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide

[4-[[(2R,5S)-2-(4-aminobutyl)-5-[[2-(2-ethoxyethoxy)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamate;[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] N-[2-[[4-[[(2R,5S)-2-(4-aminobutyl)-5-[(2-ethoxyacetyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate;bis(2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide);2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide (PubChem CID 159273977) has the molecular formula C139H234N22O43 and a molecular weight of 2901.51 g/mol. Its IUPAC name is [4-[[(2R,5S)-2-(4-aminobutyl)-5-[[2-(2-ethoxyethoxy)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamate;[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] N-[2-[[4-[[(2R,5S)-2-(4-aminobutyl)-5-[(2-ethoxyacetyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate;bis(2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide);2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide.

Molecular Properties

Compound Name[4-[[(2R,5S)-2-(4-aminobutyl)-5-[[2-(2-ethoxyethoxy)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamate;[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] N-[2-[[4-[[(2R,5S)-2-(4-aminobutyl)-5-[(2-ethoxyacetyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate;bis(2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide);2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide
PubChem CID159273977
Molecular FormulaC139H234N22O43
Molecular Weight2901.51 g/mol
Exact Mass2899.68
IUPAC Name[4-[[(2R,5S)-2-(4-aminobutyl)-5-[[2-(2-ethoxyethoxy)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamate;[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] N-[2-[[4-[[(2R,5S)-2-(4-aminobutyl)-5-[(2-ethoxyacetyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate;bis(2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide);2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide
SMILESCCOCC(=O)N[C@H](C(=O)C[C@@H](CCCCN)C(=O)Nc1ccc(COC(=O)N(C)CCN(C)C(=O)OC(C)(C)Cn2c(COCC)nc3c(N)nc4ccccc4c32)cc1)C(C)C.CCOCCOCC(=O)N[C@H](C(=O)C[C@@H](CCCCN)C(=O)Nc1ccc(COC(=O)Nc2nc3ccccc3c3c2nc(COCC)n3CC(C)(C)O)cc1)C(C)C.CCOCCOCCOCCOCCOCCOCCOCC(=O)NN.CCOCCOCCOCCOCCOCCOCCOCC(=O)NN.CCOCCOCCOCCOCCOCCOCCOCCOCC(=O)NN
InChIInChI=1S/C46H67N9O9.C43H61N7O9.C18H38N2O9.2C16H34N2O8/c1-9-61-27-37-51-40-41(34-16-11-12-17-35(34)50-42(40)48)55(37)29-46(5,6)64-45(60)54(8)24-23-53(7)44(59)63-26-31-18-20-33(21-19-31)49-43(58)32(15-13-14-22-47)25-36(56)39(30(3)4)52-38(57)28-62-10-2;1-7-56-21-22-58-26-36(52)48-37(28(3)4)34(51)23-30(13-11-12-20-44)41(53)45-31-18-16-29(17-19-31)24-59-42(54)49-40-38-39(32-14-9-10-15-33(32)46-40)50(27-43(5,6)55)35(47-38)25-57-8-2;1-2-22-3-4-23-5-6-24-7-8-25-9-10-26-11-12-27-13-14-28-15-16-29-17-18(21)20-19;2*1-2-20-3-4-21-5-6-22-7-8-23-9-10-24-11-12-25-13-14-26-15-16(19)18-17/h11-12,16-21,30,32,39H,9-10,13-15,22-29,47H2,1-8H3,(H2,48,50)(H,49,58)(H,52,57);9-10,14-19,28,30,37,55H,7-8,11-13,20-27,44H2,1-6H3,(H,45,53)(H,48,52)(H,46,49,54);2-17,19H2,1H3,(H,20,21);2*2-15,17H2,1H3,(H,18,19)/t32-,39+;30-,37+;;;/m11.../s1
InChIKeyKYBKBPSLEIVAEB-ZXJCYCDDSA-N
XLogP8.47
TPSA822.23 Ų
H-Bond Donors15
H-Bond Acceptors55
Rotatable Bonds116
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002901.51
LogP ≤ 58.47
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-[[(2R,5S)-2-(4-aminobutyl)-5-[[2-(2-ethoxyethoxy)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamate;[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] N-[2-[[4-[[(2R,5S)-2-(4-aminobutyl)-5-[(2-ethoxyacetyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate;bis(2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide);2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide with MolForge

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Related Compounds

[4-[[(2S)-6-amino-2-[[(2S)-2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydrazinyl-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]phenyl]methyl N-[2-[[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxycarbonyl-methylamino]ethyl]-N-methylcarbamate
CID 71616812
[4-[[(2S)-6-amino-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]hexanoyl]amino]phenyl]methyl N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamate
CID 139317223
[4-[[(2R)-2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyl-methylamino]ethyl]-N-methylcarbamate
CID 155097587
(2S)-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-[[2-[2-[3-[2-[2-[[(2S)-1-[[2-(ethoxymethyl)-1-propylimidazo[4,5-c]quinolin-4-yl]amino]-3-methylbutan-2-yl]amino]-2-oxoethoxy]ethoxy]-2,2-bis[2-[2-[[(2S)-1-[[2-(ethoxymethyl)-1-propylimidazo[4,5-c]quinolin-4-yl]amino]-3-methylbutan-2-yl]amino]-2-oxoethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]amino]-3-methylbutanamide
CID 158312187
(2S)-2-amino-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-3-methylbutanamide;tert-butyl N-[(2S)-1-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;molecular hydrogen
CID 160870070
(2R)-3-[[2-(2-ethoxyethoxy)acetyl]amino]-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoropropanamide;2-(2-ethoxyethoxy)-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide
CID 161156719
[4-[[(2S)-2-[[1-(3-azidopropylcarbamoyl)cyclobutanecarbonyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamate
CID 155097571
[4-[[(2S)-5-(carbamoylamino)-2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]acetyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]carbamate
CID 166726497
(2R)-6-(2-ethoxyethoxy)-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoro-5-oxohexanamide
CID 159773854
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride
CID 76902470
3,3-dimethylbutan-1-ol;ethane;N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]propanamide;3-methylbutanamide
CID 163291857
tert-butyl N-[(5S)-5-acetamido-6-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-6-oxohexyl]carbamate
CID 155097483

Frequently Asked Questions

What is the IUPAC name of [4-[[(2R,5S)-2-(4-aminobutyl)-5-[[2-(2-ethoxyethoxy)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamate;[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] N-[2-[[4-[[(2R,5S)-2-(4-aminobutyl)-5-[(2-ethoxyacetyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate;bis(2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide);2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide?
The IUPAC name of [4-[[(2R,5S)-2-(4-aminobutyl)-5-[[2-(2-ethoxyethoxy)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamate;[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] N-[2-[[4-[[(2R,5S)-2-(4-aminobutyl)-5-[(2-ethoxyacetyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate;bis(2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide);2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide (CID 159273977) is [4-[[(2R,5S)-2-(4-aminobutyl)-5-[[2-(2-ethoxyethoxy)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamate;[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] N-[2-[[4-[[(2R,5S)-2-(4-aminobutyl)-5-[(2-ethoxyacetyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate;bis(2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide);2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide.
What is the SMILES notation for [4-[[(2R,5S)-2-(4-aminobutyl)-5-[[2-(2-ethoxyethoxy)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamate;[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] N-[2-[[4-[[(2R,5S)-2-(4-aminobutyl)-5-[(2-ethoxyacetyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate;bis(2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide);2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide?
The canonical SMILES for [4-[[(2R,5S)-2-(4-aminobutyl)-5-[[2-(2-ethoxyethoxy)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamate;[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] N-[2-[[4-[[(2R,5S)-2-(4-aminobutyl)-5-[(2-ethoxyacetyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate;bis(2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide);2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide is CCOCC(=O)N[C@H](C(=O)C[C@@H](CCCCN)C(=O)Nc1ccc(COC(=O)N(C)CCN(C)C(=O)OC(C)(C)Cn2c(COCC)nc3c(N)nc4ccccc4c32)cc1)C(C)C.CCOCCOCC(=O)N[C@H](C(=O)C[C@@H](CCCCN)C(=O)Nc1ccc(COC(=O)Nc2nc3ccccc3c3c2nc(COCC)n3CC(C)(C)O)cc1)C(C)C.CCOCCOCCOCCOCCOCCOCCOCC(=O)NN.CCOCCOCCOCCOCCOCCOCCOCC(=O)NN.CCOCCOCCOCCOCCOCCOCCOCCOCC(=O)NN.
What is the InChIKey of [4-[[(2R,5S)-2-(4-aminobutyl)-5-[[2-(2-ethoxyethoxy)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamate;[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] N-[2-[[4-[[(2R,5S)-2-(4-aminobutyl)-5-[(2-ethoxyacetyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate;bis(2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide);2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide?
The InChIKey is KYBKBPSLEIVAEB-ZXJCYCDDSA-N. The full InChI is InChI=1S/C46H67N9O9.C43H61N7O9.C18H38N2O9.2C16H34N2O8/c1-9-61-27-37-51-40-41(34-16-11-12-17-35(34)50-42(40)48)55(37)29-46(5,6)64-45(60)54(8)24-23-53(7)44(59)63-26-31-18-20-33(21-19-31)49-43(58)32(15-13-14-22-47)25-36(56)39(30(3)4)52-38(57)28-62-10-2;1-7-56-21-22-58-26-36(52)48-37(28(3)4)34(51)23-30(13-11-12-20-44)41(53)45-31-18-16-29(17-19-31)24-59-42(54)49-40-38-39(32-14-9-10-15-33(32)46-40)50(27-43(5,6)55)35(47-38)25-57-8-2;1-2-22-3-4-23-5-6-24-7-8-25-9-10-26-11-12-27-13-14-28-15-16-29-17-18(21)20-19;2*1-2-20-3-4-21-5-6-22-7-8-23-9-10-24-11-12-25-13-14-26-15-16(19)18-17/h11-12,16-21,30,32,39H,9-10,13-15,22-29,47H2,1-8H3,(H2,48,50)(H,49,58)(H,52,57);9-10,14-19,28,30,37,55H,7-8,11-13,20-27,44H2,1-6H3,(H,45,53)(H,48,52)(H,46,49,54);2-17,19H2,1H3,(H,20,21);2*2-15,17H2,1H3,(H,18,19)/t32-,39+;30-,37+;;;/m11.../s1.
What are the key properties of [4-[[(2R,5S)-2-(4-aminobutyl)-5-[[2-(2-ethoxyethoxy)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamate;[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] N-[2-[[4-[[(2R,5S)-2-(4-aminobutyl)-5-[(2-ethoxyacetyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate;bis(2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide);2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide?
[4-[[(2R,5S)-2-(4-aminobutyl)-5-[[2-(2-ethoxyethoxy)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamate;[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] N-[2-[[4-[[(2R,5S)-2-(4-aminobutyl)-5-[(2-ethoxyacetyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate;bis(2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide);2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide has a molecular weight of 2901.51 g/mol, XLogP of 8.47, 116 rotatable bonds, 15 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2R,5S)-2-(4-aminobutyl)-5-[[2-(2-ethoxyethoxy)acetyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamate;[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] N-[2-[[4-[[(2R,5S)-2-(4-aminobutyl)-5-[(2-ethoxyacetyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate;bis(2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide);2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetohydrazide is sourced from PubChem (CID 159273977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).