2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[6-amino-5-[11-[11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undecylsulfanyl]undecanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]acetic acid

C55H105N5O18S — CID 142030555

About 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[6-amino-5-[11-[11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undecylsulfanyl]undecanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]acetic acid

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[6-amino-5-[11-[11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undecylsulfanyl]undecanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]acetic acid (PubChem CID 142030555) has the molecular formula C55H105N5O18S and a molecular weight of 1156.53 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[6-amino-5-[11-[11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undecylsulfanyl]undecanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[6-amino-5-[11-[11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undecylsulfanyl]undecanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]acetic acid
• PubChem CID: 142030555
• Molecular Formula: C55H105N5O18S
• Molecular Weight: 1156.53 g/mol
• Exact Mass: 1155.72
• IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[6-amino-5-[11-[11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undecylsulfanyl]undecanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]acetic acid
• SMILES: COCCOCCOCCOCCCCCCCCCCCSCCCCCCCCCCC(=O)NC(CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)COCCOCCOCC(=O)O)C(N)=O
• InChI: InChI=1S/C55H105N5O18S/c1-68-29-30-72-33-34-73-32-31-69-26-18-12-8-4-2-5-9-13-19-43-79-44-20-14-10-6-3-7-11-15-22-50(61)60-49(55(56)67)21-16-17-23-57-51(62)45-75-39-35-70-27-24-58-52(63)46-76-40-36-71-28-25-59-53(64)47-77-41-37-74-38-42-78-48-54(65)66/h49H,2-48H2,1H3,(H2,56,67)(H,57,62)(H,58,63)(H,59,64)(H,60,61)(H,65,66)
• InChIKey: KHYGZQLLPVCENV-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 298.32 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 65
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1156.53
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[6-amino-5-[11-[11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undecylsulfanyl]undecanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]acetic acid?

The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[6-amino-5-[11-[11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undecylsulfanyl]undecanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]acetic acid (CID 142030555) is 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[6-amino-5-[11-[11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undecylsulfanyl]undecanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]acetic acid.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[6-amino-5-[11-[11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undecylsulfanyl]undecanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]acetic acid?

The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[6-amino-5-[11-[11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undecylsulfanyl]undecanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]acetic acid is COCCOCCOCCOCCCCCCCCCCCSCCCCCCCCCCC(=O)NC(CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)COCCOCCOCC(=O)O)C(N)=O.

What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[6-amino-5-[11-[11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undecylsulfanyl]undecanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]acetic acid?

The InChIKey is KHYGZQLLPVCENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H105N5O18S/c1-68-29-30-72-33-34-73-32-31-69-26-18-12-8-4-2-5-9-13-19-43-79-44-20-14-10-6-3-7-11-15-22-50(61)60-49(55(56)67)21-16-17-23-57-51(62)45-75-39-35-70-27-24-58-52(63)46-76-40-36-71-28-25-59-53(64)47-77-41-37-74-38-42-78-48-54(65)66/h49H,2-48H2,1H3,(H2,56,67)(H,57,62)(H,58,63)(H,59,64)(H,60,61)(H,65,66).

What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[6-amino-5-[11-[11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undecylsulfanyl]undecanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]acetic acid?

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[6-amino-5-[11-[11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undecylsulfanyl]undecanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 1156.53 g/mol, XLogP of 4.13, 65 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[6-amino-5-[11-[11-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]undecylsulfanyl]undecanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 142030555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).