(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[4-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]butanoylamino]hexanoyl]amino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

C87H146F5N15O33 — CID 164575007

About (2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[4-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]butanoylamino]hexanoyl]amino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[4-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]butanoylamino]hexanoyl]amino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (PubChem CID 164575007) has the molecular formula C87H146F5N15O33 and a molecular weight of 2025.19 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[4-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]butanoylamino]hexanoyl]amino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

• Compound Name: (2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[4-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]butanoylamino]hexanoyl]amino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• PubChem CID: 164575007
• Molecular Formula: C87H146F5N15O33
• Molecular Weight: 2025.19 g/mol
• Exact Mass: 2024.01
• IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[4-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]butanoylamino]hexanoyl]amino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• SMILES: O=C(CCOCCOCCn1cc(COCCOCCOCCOCCO)nn1)NCCCC[C@@H](NC(=O)CCCNC(=O)CCOCCOCCn1cc(COCCOCCOCCOCCO)nn1)C(=O)N[C@H](CCCCNC(=O)CCOCCOCCn1cc(COCCOCCOCCOCCO)nn1)C(=O)NCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F
• InChI: InChI=1S/C87H146F5N15O33/c88-80-81(89)83(91)85(84(92)82(80)90)140-79(115)12-26-121-37-45-129-50-51-130-46-38-122-27-16-96-86(116)73(6-1-3-13-93-75(111)9-23-118-34-39-123-28-17-105-64-70(99-102-105)67-137-61-58-134-55-52-131-47-42-126-31-20-108)98-87(117)74(7-2-4-14-94-76(112)10-24-119-35-40-124-29-18-106-65-71(100-103-106)68-138-62-59-135-56-53-132-48-43-127-32-21-109)97-78(114)8-5-15-95-77(113)11-25-120-36-41-125-30-19-107-66-72(101-104-107)69-139-63-60-136-57-54-133-49-44-128-33-22-110/h64-66,73-74,108-110H,1-63,67-69H2,(H,93,111)(H,94,112)(H,95,113)(H,96,116)(H,97,114)(H,98,117)/t73-,74-/m1/s1
• InChIKey: LVWVTPLPTMOZMY-JKISBZMSSA-N
• XLogP: -0.88
• TPSA: 556.78 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 42
• Rotatable Bonds: 100
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2025.19
LogP ≤ 5	-0.88
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[4-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]butanoylamino]hexanoyl]amino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?

The IUPAC name of (2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[4-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]butanoylamino]hexanoyl]amino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (CID 164575007) is (2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[4-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]butanoylamino]hexanoyl]amino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.

What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[4-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]butanoylamino]hexanoyl]amino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?

The canonical SMILES for (2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[4-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]butanoylamino]hexanoyl]amino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is O=C(CCOCCOCCn1cc(COCCOCCOCCOCCO)nn1)NCCCC[C@@H](NC(=O)CCCNC(=O)CCOCCOCCn1cc(COCCOCCOCCOCCO)nn1)C(=O)N[C@H](CCCCNC(=O)CCOCCOCCn1cc(COCCOCCOCCOCCO)nn1)C(=O)NCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F.

What is the InChIKey of (2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[4-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]butanoylamino]hexanoyl]amino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?

The InChIKey is LVWVTPLPTMOZMY-JKISBZMSSA-N. The full InChI is InChI=1S/C87H146F5N15O33/c88-80-81(89)83(91)85(84(92)82(80)90)140-79(115)12-26-121-37-45-129-50-51-130-46-38-122-27-16-96-86(116)73(6-1-3-13-93-75(111)9-23-118-34-39-123-28-17-105-64-70(99-102-105)67-137-61-58-134-55-52-131-47-42-126-31-20-108)98-87(117)74(7-2-4-14-94-76(112)10-24-119-35-40-124-29-18-106-65-71(100-103-106)68-138-62-59-135-56-53-132-48-43-127-32-21-109)97-78(114)8-5-15-95-77(113)11-25-120-36-41-125-30-19-107-66-72(101-104-107)69-139-63-60-136-57-54-133-49-44-128-33-22-110/h64-66,73-74,108-110H,1-63,67-69H2,(H,93,111)(H,94,112)(H,95,113)(H,96,116)(H,97,114)(H,98,117)/t73-,74-/m1/s1.

What are the key properties of (2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[4-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]butanoylamino]hexanoyl]amino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?

(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[4-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]butanoylamino]hexanoyl]amino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate has a molecular weight of 2025.19 g/mol, XLogP of -0.88, 100 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for (2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[[(2R)-6-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]-2-[4-[3-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoylamino]butanoylamino]hexanoyl]amino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 164575007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).