21-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid;18-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-18-oxooctadecanoic acid

C216H378N6O63 — CID 159521370

About 21-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid;18-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-18-oxooctadecanoic acid

21-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid;18-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-18-oxooctadecanoic acid (PubChem CID 159521370) has the molecular formula C216H378N6O63 and a molecular weight of 4067.38 g/mol. Its IUPAC name is 21-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid;18-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-18-oxooctadecanoic acid.

Molecular Properties

• Compound Name: 21-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid;18-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-18-oxooctadecanoic acid
• PubChem CID: 159521370
• Molecular Formula: C216H378N6O63
• Molecular Weight: 4067.38 g/mol
• Exact Mass: 4064.66
• IUPAC Name: 21-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid;18-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-18-oxooctadecanoic acid
• SMILES: CC(=O)CCC(CC(=O)CCC(=O)NCCOCCOCCCC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CCC(CC(=O)COCC(=O)CCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CC[C@H](CC(=O)CCC(=O)NCCOCCOCCCC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CC[C@H](CC(=O)CCC(=O)NCCOCCOCCCC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CC[C@H](CC(=O)COCC(=O)CCCOCCOCCNC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CC[C@H](CC(=O)COCC(=O)CCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O
• InChI: InChI=1S/C38H67NO11.C38H67NO10.C36H63NO11.C36H63NO10.C34H59NO11.C34H59NO10/c1-32(40)22-23-33(38(46)47)29-35(42)31-50-30-34(41)19-18-25-48-27-28-49-26-24-39-36(43)20-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-21-37(44)45;1-32(40)22-23-33(38(46)47)31-35(42)24-25-36(43)39-26-28-49-30-29-48-27-18-20-34(41)19-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-21-37(44)45;1-30(38)20-21-31(36(44)45)27-33(40)29-48-28-32(39)17-16-23-46-25-26-47-24-22-37-34(41)18-14-12-10-8-6-4-2-3-5-7-9-11-13-15-19-35(42)43;1-30(38)20-21-31(36(44)45)29-33(40)22-23-34(41)37-24-26-47-28-27-46-25-16-18-32(39)17-14-12-10-8-6-4-2-3-5-7-9-11-13-15-19-35(42)43;1-28(36)18-19-29(34(42)43)25-31(38)27-46-26-30(37)15-14-21-44-23-24-45-22-20-35-32(39)16-12-10-8-6-4-2-3-5-7-9-11-13-17-33(40)41;1-28(36)18-19-29(34(42)43)27-31(38)20-21-32(39)35-22-24-45-26-25-44-23-14-16-30(37)15-12-10-8-6-4-2-3-5-7-9-11-13-17-33(40)41/h33H,2-31H2,1H3,(H,39,43)(H,44,45)(H,46,47);33H,2-31H2,1H3,(H,39,43)(H,44,45)(H,46,47);31H,2-29H2,1H3,(H,37,41)(H,42,43)(H,44,45);31H,2-29H2,1H3,(H,37,41)(H,42,43)(H,44,45);29H,2-27H2,1H3,(H,35,39)(H,40,41)(H,42,43);29H,2-27H2,1H3,(H,35,39)(H,40,41)(H,42,43)/t;33-;2*31-;29-;/m.1111./s1
• InChIKey: MBVOBVNMHMXITE-MKONGJFNSA-N
• XLogP: 37.43
• TPSA: 1067.91 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 51
• Rotatable Bonds: 219
• Heavy Atoms: 285
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4067.38
LogP ≤ 5	37.43
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 21-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid;18-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-18-oxooctadecanoic acid?

The IUPAC name of 21-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid;18-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-18-oxooctadecanoic acid (CID 159521370) is 21-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid;18-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-18-oxooctadecanoic acid.

What is the SMILES notation for 21-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid;18-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-18-oxooctadecanoic acid?

The canonical SMILES for 21-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid;18-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-18-oxooctadecanoic acid is CC(=O)CCC(CC(=O)CCC(=O)NCCOCCOCCCC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CCC(CC(=O)COCC(=O)CCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CC[C@H](CC(=O)CCC(=O)NCCOCCOCCCC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CC[C@H](CC(=O)CCC(=O)NCCOCCOCCCC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CC[C@H](CC(=O)COCC(=O)CCCOCCOCCNC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(=O)CC[C@H](CC(=O)COCC(=O)CCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.

What is the InChIKey of 21-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid;18-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-18-oxooctadecanoic acid?

The InChIKey is MBVOBVNMHMXITE-MKONGJFNSA-N. The full InChI is InChI=1S/C38H67NO11.C38H67NO10.C36H63NO11.C36H63NO10.C34H59NO11.C34H59NO10/c1-32(40)22-23-33(38(46)47)29-35(42)31-50-30-34(41)19-18-25-48-27-28-49-26-24-39-36(43)20-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-21-37(44)45;1-32(40)22-23-33(38(46)47)31-35(42)24-25-36(43)39-26-28-49-30-29-48-27-18-20-34(41)19-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-21-37(44)45;1-30(38)20-21-31(36(44)45)27-33(40)29-48-28-32(39)17-16-23-46-25-26-47-24-22-37-34(41)18-14-12-10-8-6-4-2-3-5-7-9-11-13-15-19-35(42)43;1-30(38)20-21-31(36(44)45)29-33(40)22-23-34(41)37-24-26-47-28-27-46-25-16-18-32(39)17-14-12-10-8-6-4-2-3-5-7-9-11-13-15-19-35(42)43;1-28(36)18-19-29(34(42)43)25-31(38)27-46-26-30(37)15-14-21-44-23-24-45-22-20-35-32(39)16-12-10-8-6-4-2-3-5-7-9-11-13-17-33(40)41;1-28(36)18-19-29(34(42)43)27-31(38)20-21-32(39)35-22-24-45-26-25-44-23-14-16-30(37)15-12-10-8-6-4-2-3-5-7-9-11-13-17-33(40)41/h33H,2-31H2,1H3,(H,39,43)(H,44,45)(H,46,47);33H,2-31H2,1H3,(H,39,43)(H,44,45)(H,46,47);31H,2-29H2,1H3,(H,37,41)(H,42,43)(H,44,45);31H,2-29H2,1H3,(H,37,41)(H,42,43)(H,44,45);29H,2-27H2,1H3,(H,35,39)(H,40,41)(H,42,43);29H,2-27H2,1H3,(H,35,39)(H,40,41)(H,42,43)/t;33-;2*31-;29-;/m.1111./s1.

What are the key properties of 21-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid;18-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-18-oxooctadecanoic acid?

21-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid;18-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-18-oxooctadecanoic acid has a molecular weight of 4067.38 g/mol, XLogP of 37.43, 219 rotatable bonds, 18 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 21-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-18-oxohenicosanoic acid;19-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid;23-[2-[2-[[(6R)-6-carboxy-4,9-dioxodecanoyl]amino]ethoxy]ethoxy]-20-oxotricosanoic acid;16-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid;20-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-20-oxoicosanoic acid;18-[2-[2-[5-[(4R)-4-carboxy-2,7-dioxooctoxy]-4-oxopentoxy]ethoxy]ethylamino]-18-oxooctadecanoic acid is sourced from PubChem (CID 159521370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).