16-[[4-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-(2-azidoethoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-(2-azidoethylamino)-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-[2-(2-azidoethylamino)-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid

C180H325N31O56 — CID 164996939

IUPAC16-[[4-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-(2-azidoethoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-(2-azidoethylamino)-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-[2-(2-azidoethylamino)-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid
SMILES[N-]=[N+]=NCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.[N-]=[N+]=NCCNC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.[N-]=[N+]=NCCOCCOCCCC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.[N-]=[N+]=NCCOCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.[N-]=[N+]=NCCOCCOCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.[N-]=[N+]=NCCOCCOCCOCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C36H64N6O12.C34H61N5O11.C31H57N5O10.C29H53N5O9.C27H49N5O8.C23H41N5O6/c37-42-40-20-19-38-34(46)29-54-27-24-51-22-13-14-30(43)28-53-26-25-52-23-21-39-32(44)18-17-31(36(49)50)41-33(45)15-11-9-7-5-3-1-2-4-6-8-10-12-16-35(47)48;35-39-37-20-23-49-25-24-47-21-13-14-29(40)28-50-27-26-48-22-19-36-31(41)18-17-30(34(45)46)38-32(42)15-11-9-7-5-3-1-2-4-6-8-10-12-16-33(43)44;32-36-34-18-20-44-22-24-46-26-25-45-23-21-43-19-17-33-28(37)16-15-27(31(41)42)35-29(38)13-11-9-7-5-3-1-2-4-6-8-10-12-14-30(39)40;30-34-32-18-20-42-22-24-43-23-21-41-19-17-31-26(35)16-15-25(29(39)40)33-27(36)13-11-9-7-5-3-1-2-4-6-8-10-12-14-28(37)38;28-32-30-18-20-40-22-21-39-19-17-29-24(33)16-15-23(27(37)38)31-25(34)13-11-9-7-5-3-1-2-4-6-8-10-12-14-26(35)36;24-28-26-18-17-25-20(29)16-15-19(23(33)34)27-21(30)13-11-9-7-5-3-1-2-4-6-8-10-12-14-22(31)32/h31H,1-29H2,(H,38,46)(H,39,44)(H,41,45)(H,47,48)(H,49,50);30H,1-28H2,(H,36,41)(H,38,42)(H,43,44)(H,45,46);27H,1-26H2,(H,33,37)(H,35,38)(H,39,40)(H,41,42);25H,1-24H2,(H,31,35)(H,33,36)(H,37,38)(H,39,40);23H,1-22H2,(H,29,33)(H,31,34)(H,35,36)(H,37,38);19H,1-18H2,(H,25,29)(H,27,30)(H,31,32)(H,33,34)
InChIKeyHRLVNFBNYWEOON-UHFFFAOYSA-N
MW3819.74 g/mol
LogP25.95
Rot. Bonds197

About 16-[[4-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-(2-azidoethoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-(2-azidoethylamino)-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-[2-(2-azidoethylamino)-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid

16-[[4-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-(2-azidoethoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-(2-azidoethylamino)-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-[2-(2-azidoethylamino)-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid (PubChem CID 164996939) has the molecular formula C180H325N31O56 and a molecular weight of 3819.74 g/mol. Its IUPAC name is 16-[[4-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-(2-azidoethoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-(2-azidoethylamino)-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-[2-(2-azidoethylamino)-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid.

Molecular Properties

Compound Name16-[[4-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-(2-azidoethoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-(2-azidoethylamino)-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-[2-(2-azidoethylamino)-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid
PubChem CID164996939
Molecular FormulaC180H325N31O56
Molecular Weight3819.74 g/mol
Exact Mass3817.35
IUPAC Name16-[[4-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-(2-azidoethoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-(2-azidoethylamino)-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-[2-(2-azidoethylamino)-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid
SMILES[N-]=[N+]=NCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.[N-]=[N+]=NCCNC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.[N-]=[N+]=NCCOCCOCCCC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.[N-]=[N+]=NCCOCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.[N-]=[N+]=NCCOCCOCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.[N-]=[N+]=NCCOCCOCCOCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C36H64N6O12.C34H61N5O11.C31H57N5O10.C29H53N5O9.C27H49N5O8.C23H41N5O6/c37-42-40-20-19-38-34(46)29-54-27-24-51-22-13-14-30(43)28-53-26-25-52-23-21-39-32(44)18-17-31(36(49)50)41-33(45)15-11-9-7-5-3-1-2-4-6-8-10-12-16-35(47)48;35-39-37-20-23-49-25-24-47-21-13-14-29(40)28-50-27-26-48-22-19-36-31(41)18-17-30(34(45)46)38-32(42)15-11-9-7-5-3-1-2-4-6-8-10-12-16-33(43)44;32-36-34-18-20-44-22-24-46-26-25-45-23-21-43-19-17-33-28(37)16-15-27(31(41)42)35-29(38)13-11-9-7-5-3-1-2-4-6-8-10-12-14-30(39)40;30-34-32-18-20-42-22-24-43-23-21-41-19-17-31-26(35)16-15-25(29(39)40)33-27(36)13-11-9-7-5-3-1-2-4-6-8-10-12-14-28(37)38;28-32-30-18-20-40-22-21-39-19-17-29-24(33)16-15-23(27(37)38)31-25(34)13-11-9-7-5-3-1-2-4-6-8-10-12-14-26(35)36;24-28-26-18-17-25-20(29)16-15-19(23(33)34)27-21(30)13-11-9-7-5-3-1-2-4-6-8-10-12-14-22(31)32/h31H,1-29H2,(H,38,46)(H,39,44)(H,41,45)(H,47,48)(H,49,50);30H,1-28H2,(H,36,41)(H,38,42)(H,43,44)(H,45,46);27H,1-26H2,(H,33,37)(H,35,38)(H,39,40)(H,41,42);25H,1-24H2,(H,31,35)(H,33,36)(H,37,38)(H,39,40);23H,1-22H2,(H,29,33)(H,31,34)(H,35,36)(H,37,38);19H,1-18H2,(H,25,29)(H,27,30)(H,31,32)(H,33,34)
InChIKeyHRLVNFBNYWEOON-UHFFFAOYSA-N
XLogP25.95
TPSA1309.51 Ų
H-Bond Donors25
H-Bond Acceptors50
Rotatable Bonds197
Heavy Atoms267
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003819.74
LogP ≤ 525.95
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 16-[[4-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-(2-azidoethoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-(2-azidoethylamino)-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-[2-(2-azidoethylamino)-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid with MolForge

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Related Compounds

16-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid
CID 164811259
18-[[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 134363532
5-[2-[2-[5-[2-(2-azidoethoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-2-[(2-carboxyacetyl)amino]-5-oxopentanoic acid
CID 165031768
5-[2-[2-[5-[2-[2-(2-azidoethylamino)-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-2-[(2-carboxyacetyl)amino]-5-oxopentanoic acid;5-[2-[2-[5-[2-[2-(but-3-ynylamino)-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-2-[(2-carboxyacetyl)amino]-5-oxopentanoic acid
CID 164989041
18-[[(1S)-1-carboxy-4-oxo-7-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]heptyl]amino]-18-oxooctadecanoic acid
CID 165058045
14-[[(1S)-1-carboxy-4-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-14-oxotetradecanoic acid
CID 163773689
(2S)-5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-2-(hexadecanoylamino)-5-oxopentanoic acid
CID 118070907
(2S)-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxo-2-(tetradecanoylamino)pentanoic acid
CID 171735638
14-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[2-[2-[5-[2-[2-[[(5S)-5-methyl-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-14-oxotetradecanoic acid
CID 159396731
18-[[(1S)-3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-1-carboxy-3-oxopropyl]amino]-18-oxooctadecanoic acid
CID 121333126
22-[[(1S)-1-carboxy-4-oxo-4-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]butyl]amino]-22-oxodocosanoic acid
CID 175629812
12-[[4-[[4-[2-[2-[2-[2-[2-[2-[5-[(2-bromoacetyl)amino]pentylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-12-oxododecanoic acid
CID 138718825

Frequently Asked Questions

What is the IUPAC name of 16-[[4-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-(2-azidoethoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-(2-azidoethylamino)-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-[2-(2-azidoethylamino)-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid?
The IUPAC name of 16-[[4-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-(2-azidoethoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-(2-azidoethylamino)-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-[2-(2-azidoethylamino)-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid (CID 164996939) is 16-[[4-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-(2-azidoethoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-(2-azidoethylamino)-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-[2-(2-azidoethylamino)-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid.
What is the SMILES notation for 16-[[4-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-(2-azidoethoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-(2-azidoethylamino)-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-[2-(2-azidoethylamino)-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid?
The canonical SMILES for 16-[[4-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-(2-azidoethoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-(2-azidoethylamino)-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-[2-(2-azidoethylamino)-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid is [N-]=[N+]=NCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.[N-]=[N+]=NCCNC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.[N-]=[N+]=NCCOCCOCCCC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.[N-]=[N+]=NCCOCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.[N-]=[N+]=NCCOCCOCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.[N-]=[N+]=NCCOCCOCCOCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.
What is the InChIKey of 16-[[4-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-(2-azidoethoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-(2-azidoethylamino)-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-[2-(2-azidoethylamino)-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid?
The InChIKey is HRLVNFBNYWEOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H64N6O12.C34H61N5O11.C31H57N5O10.C29H53N5O9.C27H49N5O8.C23H41N5O6/c37-42-40-20-19-38-34(46)29-54-27-24-51-22-13-14-30(43)28-53-26-25-52-23-21-39-32(44)18-17-31(36(49)50)41-33(45)15-11-9-7-5-3-1-2-4-6-8-10-12-16-35(47)48;35-39-37-20-23-49-25-24-47-21-13-14-29(40)28-50-27-26-48-22-19-36-31(41)18-17-30(34(45)46)38-32(42)15-11-9-7-5-3-1-2-4-6-8-10-12-16-33(43)44;32-36-34-18-20-44-22-24-46-26-25-45-23-21-43-19-17-33-28(37)16-15-27(31(41)42)35-29(38)13-11-9-7-5-3-1-2-4-6-8-10-12-14-30(39)40;30-34-32-18-20-42-22-24-43-23-21-41-19-17-31-26(35)16-15-25(29(39)40)33-27(36)13-11-9-7-5-3-1-2-4-6-8-10-12-14-28(37)38;28-32-30-18-20-40-22-21-39-19-17-29-24(33)16-15-23(27(37)38)31-25(34)13-11-9-7-5-3-1-2-4-6-8-10-12-14-26(35)36;24-28-26-18-17-25-20(29)16-15-19(23(33)34)27-21(30)13-11-9-7-5-3-1-2-4-6-8-10-12-14-22(31)32/h31H,1-29H2,(H,38,46)(H,39,44)(H,41,45)(H,47,48)(H,49,50);30H,1-28H2,(H,36,41)(H,38,42)(H,43,44)(H,45,46);27H,1-26H2,(H,33,37)(H,35,38)(H,39,40)(H,41,42);25H,1-24H2,(H,31,35)(H,33,36)(H,37,38)(H,39,40);23H,1-22H2,(H,29,33)(H,31,34)(H,35,36)(H,37,38);19H,1-18H2,(H,25,29)(H,27,30)(H,31,32)(H,33,34).
What are the key properties of 16-[[4-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-(2-azidoethoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-(2-azidoethylamino)-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-[2-(2-azidoethylamino)-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid?
16-[[4-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-(2-azidoethoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-(2-azidoethylamino)-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-[2-(2-azidoethylamino)-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid has a molecular weight of 3819.74 g/mol, XLogP of 25.95, 197 rotatable bonds, 25 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[[4-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-(2-azidoethoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-(2-azidoethylamino)-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid;16-[[4-[2-[2-[5-[2-[2-(2-azidoethylamino)-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid is sourced from PubChem (CID 164996939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).