4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxo-5-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,4,5,6-pentahydroxyhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]pentanoic acid

C44H74N8O24 — CID 175890868

About 4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxo-5-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,4,5,6-pentahydroxyhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]pentanoic acid

4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxo-5-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,4,5,6-pentahydroxyhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]pentanoic acid (PubChem CID 175890868) has the molecular formula C44H74N8O24 and a molecular weight of 1099.11 g/mol. Its IUPAC name is 4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxo-5-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,4,5,6-pentahydroxyhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]pentanoic acid.

Molecular Properties

• Compound Name: 4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxo-5-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,4,5,6-pentahydroxyhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]pentanoic acid
• PubChem CID: 175890868
• Molecular Formula: C44H74N8O24
• Molecular Weight: 1099.11 g/mol
• Exact Mass: 1098.48
• IUPAC Name: 4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxo-5-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,4,5,6-pentahydroxyhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]pentanoic acid
• SMILES: O=C(O)CCC(NC(=O)CN1C(=O)C=CC1=O)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCC(O)C(O)C(O)C(O)CO
• InChI: InChI=1S/C44H74N8O24/c53-29-32(55)43(67)42(66)31(54)23-46-33(56)5-7-69-9-11-71-13-15-73-17-19-75-21-22-76-20-18-74-16-14-72-12-10-70-8-6-45-34(57)24-47-35(58)25-48-36(59)26-49-37(60)27-50-44(68)30(1-4-41(64)65)51-38(61)28-52-39(62)2-3-40(52)63/h2-3,30-32,42-43,53-55,66-67H,1,4-29H2,(H,45,57)(H,46,56)(H,47,58)(H,48,59)(H,49,60)(H,50,68)(H,51,61)(H,64,65)
• InChIKey: NLOIUPJGDAOGSK-UHFFFAOYSA-N
• XLogP: -9.08
• TPSA: 453.37 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 23
• Rotatable Bonds: 48
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1099.11
LogP ≤ 5	-9.08
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxo-5-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,4,5,6-pentahydroxyhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]pentanoic acid?

The IUPAC name of 4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxo-5-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,4,5,6-pentahydroxyhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]pentanoic acid (CID 175890868) is 4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxo-5-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,4,5,6-pentahydroxyhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]pentanoic acid.

What is the SMILES notation for 4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxo-5-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,4,5,6-pentahydroxyhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]pentanoic acid?

The canonical SMILES for 4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxo-5-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,4,5,6-pentahydroxyhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]pentanoic acid is O=C(O)CCC(NC(=O)CN1C(=O)C=CC1=O)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCC(O)C(O)C(O)C(O)CO.

What is the InChIKey of 4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxo-5-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,4,5,6-pentahydroxyhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]pentanoic acid?

The InChIKey is NLOIUPJGDAOGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H74N8O24/c53-29-32(55)43(67)42(66)31(54)23-46-33(56)5-7-69-9-11-71-13-15-73-17-19-75-21-22-76-20-18-74-16-14-72-12-10-70-8-6-45-34(57)24-47-35(58)25-48-36(59)26-49-37(60)27-50-44(68)30(1-4-41(64)65)51-38(61)28-52-39(62)2-3-40(52)63/h2-3,30-32,42-43,53-55,66-67H,1,4-29H2,(H,45,57)(H,46,56)(H,47,58)(H,48,59)(H,49,60)(H,50,68)(H,51,61)(H,64,65).

What are the key properties of 4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxo-5-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,4,5,6-pentahydroxyhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]pentanoic acid?

4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxo-5-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,4,5,6-pentahydroxyhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]pentanoic acid has a molecular weight of 1099.11 g/mol, XLogP of -9.08, 48 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxo-5-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,4,5,6-pentahydroxyhexylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]pentanoic acid is sourced from PubChem (CID 175890868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).