(2,5-dioxopyrrolidin-1-yl) 4-[[2-[[(2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]acetyl]amino]butanoate

C43H70N6O19 — CID 175706256

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-[[2-[[(2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]acetyl]amino]butanoate
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)NCCCC[C@H](NC(=O)CCCN1C(=O)C=CC1=O)C(=O)NCC(=O)NCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C43H70N6O19/c1-59-16-17-60-18-19-61-20-21-62-22-23-63-24-25-64-26-27-65-28-29-66-30-31-67-33-37(52)45-13-3-2-6-34(47-35(50)7-5-15-48-38(53)9-10-39(48)54)43(58)46-32-36(51)44-14-4-8-42(57)68-49-40(55)11-12-41(49)56/h9-10,34H,2-8,11-33H2,1H3,(H,44,51)(H,45,52)(H,46,58)(H,47,50)/t34-/m0/s1
InChIKeyWBYYRMPEWAFLIZ-UMSFTDKQSA-N
MW975.06 g/mol
LogP-2.14
Rot. Bonds44

About (2,5-dioxopyrrolidin-1-yl) 4-[[2-[[(2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]acetyl]amino]butanoate

(2,5-dioxopyrrolidin-1-yl) 4-[[2-[[(2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]acetyl]amino]butanoate (PubChem CID 175706256) has the molecular formula C43H70N6O19 and a molecular weight of 975.06 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[[2-[[(2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]acetyl]amino]butanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-[[2-[[(2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]acetyl]amino]butanoate
PubChem CID175706256
Molecular FormulaC43H70N6O19
Molecular Weight975.06 g/mol
Exact Mass974.47
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[[2-[[(2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]acetyl]amino]butanoate
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)NCCCC[C@H](NC(=O)CCCN1C(=O)C=CC1=O)C(=O)NCC(=O)NCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C43H70N6O19/c1-59-16-17-60-18-19-61-20-21-62-22-23-63-24-25-64-26-27-65-28-29-66-30-31-67-33-37(52)45-13-3-2-6-34(47-35(50)7-5-15-48-38(53)9-10-39(48)54)43(58)46-32-36(51)44-14-4-8-42(57)68-49-40(55)11-12-41(49)56/h9-10,34H,2-8,11-33H2,1H3,(H,44,51)(H,45,52)(H,46,58)(H,47,50)/t34-/m0/s1
InChIKeyWBYYRMPEWAFLIZ-UMSFTDKQSA-N
XLogP-2.14
TPSA300.53 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds44
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.06
LogP ≤ 5-2.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 4-[[2-[[(2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]acetyl]amino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[[2-[[(2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]acetyl]amino]butanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[[2-[[(2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]acetyl]amino]butanoate (CID 175706256) is (2,5-dioxopyrrolidin-1-yl) 4-[[2-[[(2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]acetyl]amino]butanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[[2-[[(2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]acetyl]amino]butanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[[2-[[(2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]acetyl]amino]butanoate is COCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)NCCCC[C@H](NC(=O)CCCN1C(=O)C=CC1=O)C(=O)NCC(=O)NCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[[2-[[(2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]acetyl]amino]butanoate?
The InChIKey is WBYYRMPEWAFLIZ-UMSFTDKQSA-N. The full InChI is InChI=1S/C43H70N6O19/c1-59-16-17-60-18-19-61-20-21-62-22-23-63-24-25-64-26-27-65-28-29-66-30-31-67-33-37(52)45-13-3-2-6-34(47-35(50)7-5-15-48-38(53)9-10-39(48)54)43(58)46-32-36(51)44-14-4-8-42(57)68-49-40(55)11-12-41(49)56/h9-10,34H,2-8,11-33H2,1H3,(H,44,51)(H,45,52)(H,46,58)(H,47,50)/t34-/m0/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[[2-[[(2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]acetyl]amino]butanoate?
(2,5-dioxopyrrolidin-1-yl) 4-[[2-[[(2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]acetyl]amino]butanoate has a molecular weight of 975.06 g/mol, XLogP of -2.14, 44 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-[[2-[[(2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-6-[[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]acetyl]amino]butanoate is sourced from PubChem (CID 175706256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).