23-amino-24-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,24-dioxotetracosanoic acid;22-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,22-dioxodocosanoic acid;(2R)-2-[3-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxohenicosanedioic acid;(2R)-2-(4-methyl-3-oxopentyl)-4-oxohenicosanedioic acid

C131H238N4O32 — CID 157055303

About 23-amino-24-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,24-dioxotetracosanoic acid;22-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,22-dioxodocosanoic acid;(2R)-2-[3-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxohenicosanedioic acid;(2R)-2-(4-methyl-3-oxopentyl)-4-oxohenicosanedioic acid

23-amino-24-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,24-dioxotetracosanoic acid;22-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,22-dioxodocosanoic acid;(2R)-2-[3-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxohenicosanedioic acid;(2R)-2-(4-methyl-3-oxopentyl)-4-oxohenicosanedioic acid (PubChem CID 157055303) has the molecular formula C131H238N4O32 and a molecular weight of 2381.34 g/mol. Its IUPAC name is 23-amino-24-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,24-dioxotetracosanoic acid;22-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,22-dioxodocosanoic acid;(2R)-2-[3-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxohenicosanedioic acid;(2R)-2-(4-methyl-3-oxopentyl)-4-oxohenicosanedioic acid.

Molecular Properties

• Compound Name: 23-amino-24-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,24-dioxotetracosanoic acid;22-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,22-dioxodocosanoic acid;(2R)-2-[3-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxohenicosanedioic acid;(2R)-2-(4-methyl-3-oxopentyl)-4-oxohenicosanedioic acid
• PubChem CID: 157055303
• Molecular Formula: C131H238N4O32
• Molecular Weight: 2381.34 g/mol
• Exact Mass: 2379.71
• IUPAC Name: 23-amino-24-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,24-dioxotetracosanoic acid;22-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,22-dioxodocosanoic acid;(2R)-2-[3-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxohenicosanedioic acid;(2R)-2-(4-methyl-3-oxopentyl)-4-oxohenicosanedioic acid
• SMILES: CC(C)(C)C(=O)OCCOCCNC(=O)C(N)CCCCC(=O)CCCCCCCCCCCCCCCCC(=O)O.CC(C)(C)C(=O)OCCOCCNC(=O)CCCC(=O)CCCCCCCCCCCCCCCCC(=O)O.CC(C)C(=O)CCC(CC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(C)C(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O
• InChI: InChI=1S/C40H71NO12.C33H62N2O7.C31H57NO7.C27H48O6/c1-33(2)37(44)32-53-29-26-50-24-17-19-36(43)31-52-28-27-51-25-23-41-38(45)22-21-34(40(48)49)30-35(42)18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-20-39(46)47;1-33(2,3)32(40)42-27-26-41-25-24-35-31(39)29(34)22-19-18-21-28(36)20-16-14-12-10-8-6-4-5-7-9-11-13-15-17-23-30(37)38;1-31(2,3)30(37)39-26-25-38-24-23-32-28(34)21-18-20-27(33)19-16-14-12-10-8-6-4-5-7-9-11-13-15-17-22-29(35)36;1-22(2)25(29)20-19-23(27(32)33)21-24(28)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-26(30)31/h33-34H,3-32H2,1-2H3,(H,41,45)(H,46,47)(H,48,49);29H,4-27,34H2,1-3H3,(H,35,39)(H,37,38);4-26H2,1-3H3,(H,32,34)(H,35,36);22-23H,3-21H2,1-2H3,(H,30,31)(H,32,33)/t34-;;;/m1.../s1
• InChIKey: AARKLYMCPOCAFC-AVZIKSSJSA-N
• XLogP: 26.75
• TPSA: 564.59 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 121
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2381.34
LogP ≤ 5	26.75
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 23-amino-24-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,24-dioxotetracosanoic acid;22-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,22-dioxodocosanoic acid;(2R)-2-[3-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxohenicosanedioic acid;(2R)-2-(4-methyl-3-oxopentyl)-4-oxohenicosanedioic acid?

The IUPAC name of 23-amino-24-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,24-dioxotetracosanoic acid;22-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,22-dioxodocosanoic acid;(2R)-2-[3-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxohenicosanedioic acid;(2R)-2-(4-methyl-3-oxopentyl)-4-oxohenicosanedioic acid (CID 157055303) is 23-amino-24-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,24-dioxotetracosanoic acid;22-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,22-dioxodocosanoic acid;(2R)-2-[3-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxohenicosanedioic acid;(2R)-2-(4-methyl-3-oxopentyl)-4-oxohenicosanedioic acid.

What is the SMILES notation for 23-amino-24-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,24-dioxotetracosanoic acid;22-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,22-dioxodocosanoic acid;(2R)-2-[3-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxohenicosanedioic acid;(2R)-2-(4-methyl-3-oxopentyl)-4-oxohenicosanedioic acid?

The canonical SMILES for 23-amino-24-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,24-dioxotetracosanoic acid;22-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,22-dioxodocosanoic acid;(2R)-2-[3-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxohenicosanedioic acid;(2R)-2-(4-methyl-3-oxopentyl)-4-oxohenicosanedioic acid is CC(C)(C)C(=O)OCCOCCNC(=O)C(N)CCCCC(=O)CCCCCCCCCCCCCCCCC(=O)O.CC(C)(C)C(=O)OCCOCCNC(=O)CCCC(=O)CCCCCCCCCCCCCCCCC(=O)O.CC(C)C(=O)CCC(CC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CC(C)C(=O)COCCOCCCC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.

What is the InChIKey of 23-amino-24-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,24-dioxotetracosanoic acid;22-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,22-dioxodocosanoic acid;(2R)-2-[3-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxohenicosanedioic acid;(2R)-2-(4-methyl-3-oxopentyl)-4-oxohenicosanedioic acid?

The InChIKey is AARKLYMCPOCAFC-AVZIKSSJSA-N. The full InChI is InChI=1S/C40H71NO12.C33H62N2O7.C31H57NO7.C27H48O6/c1-33(2)37(44)32-53-29-26-50-24-17-19-36(43)31-52-28-27-51-25-23-41-38(45)22-21-34(40(48)49)30-35(42)18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-20-39(46)47;1-33(2,3)32(40)42-27-26-41-25-24-35-31(39)29(34)22-19-18-21-28(36)20-16-14-12-10-8-6-4-5-7-9-11-13-15-17-23-30(37)38;1-31(2,3)30(37)39-26-25-38-24-23-32-28(34)21-18-20-27(33)19-16-14-12-10-8-6-4-5-7-9-11-13-15-17-22-29(35)36;1-22(2)25(29)20-19-23(27(32)33)21-24(28)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-26(30)31/h33-34H,3-32H2,1-2H3,(H,41,45)(H,46,47)(H,48,49);29H,4-27,34H2,1-3H3,(H,35,39)(H,37,38);4-26H2,1-3H3,(H,32,34)(H,35,36);22-23H,3-21H2,1-2H3,(H,30,31)(H,32,33)/t34-;;;/m1.../s1.

What are the key properties of 23-amino-24-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,24-dioxotetracosanoic acid;22-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,22-dioxodocosanoic acid;(2R)-2-[3-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxohenicosanedioic acid;(2R)-2-(4-methyl-3-oxopentyl)-4-oxohenicosanedioic acid?

23-amino-24-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,24-dioxotetracosanoic acid;22-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,22-dioxodocosanoic acid;(2R)-2-[3-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxohenicosanedioic acid;(2R)-2-(4-methyl-3-oxopentyl)-4-oxohenicosanedioic acid has a molecular weight of 2381.34 g/mol, XLogP of 26.75, 121 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 23-amino-24-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,24-dioxotetracosanoic acid;22-[2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethylamino]-18,22-dioxodocosanoic acid;(2R)-2-[3-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxohenicosanedioic acid;(2R)-2-(4-methyl-3-oxopentyl)-4-oxohenicosanedioic acid is sourced from PubChem (CID 157055303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).