(2,5-dihydroxypyrrol-1-yl) 7-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]carbamoyl]-7-oxoheptanoate

C52H95N5O24 — CID 91218491

IUPAC(2,5-dihydroxypyrrol-1-yl) 7-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]carbamoyl]-7-oxoheptanoate
SMILESCOCCOCCOCCOCCNC(=O)CN(CCOCCOCCOCCOC)C(=O)CC(CCCC(=O)On1c(O)ccc1O)C(=O)N(CCOCCOCCOCCOC)CC(=O)NCCOCCOCCOCCOC
InChIInChI=1S/C52H95N5O24/c1-65-18-22-73-34-38-77-30-26-69-14-10-53-46(58)43-55(12-16-71-28-32-79-40-36-75-24-20-67-3)50(62)42-45(6-5-7-51(63)81-57-48(60)8-9-49(57)61)52(64)56(13-17-72-29-33-80-41-37-76-25-21-68-4)44-47(59)54-11-15-70-27-31-78-39-35-74-23-19-66-2/h8-9,45,60-61H,5-7,10-44H2,1-4H3,(H,53,58)(H,54,59)
InChIKeyUTRPHALKNKPZFS-UHFFFAOYSA-N
MW1174.34 g/mol
LogP-1.29
Rot. Bonds60

About (2,5-dihydroxypyrrol-1-yl) 7-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]carbamoyl]-7-oxoheptanoate

(2,5-dihydroxypyrrol-1-yl) 7-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]carbamoyl]-7-oxoheptanoate (PubChem CID 91218491) has the molecular formula C52H95N5O24 and a molecular weight of 1174.34 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 7-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]carbamoyl]-7-oxoheptanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 7-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]carbamoyl]-7-oxoheptanoate
PubChem CID91218491
Molecular FormulaC52H95N5O24
Molecular Weight1174.34 g/mol
Exact Mass1173.64
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 7-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]carbamoyl]-7-oxoheptanoate
SMILESCOCCOCCOCCOCCNC(=O)CN(CCOCCOCCOCCOC)C(=O)CC(CCCC(=O)On1c(O)ccc1O)C(=O)N(CCOCCOCCOCCOC)CC(=O)NCCOCCOCCOCCOC
InChIInChI=1S/C52H95N5O24/c1-65-18-22-73-34-38-77-30-26-69-14-10-53-46(58)43-55(12-16-71-28-32-79-40-36-75-24-20-67-3)50(62)42-45(6-5-7-51(63)81-57-48(60)8-9-49(57)61)52(64)56(13-17-72-29-33-80-41-37-76-25-21-68-4)44-47(59)54-11-15-70-27-31-78-39-35-74-23-19-66-2/h8-9,45,60-61H,5-7,10-44H2,1-4H3,(H,53,58)(H,54,59)
InChIKeyUTRPHALKNKPZFS-UHFFFAOYSA-N
XLogP-1.29
TPSA318.19 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds60
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001174.34
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze (2,5-dihydroxypyrrol-1-yl) 7-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]carbamoyl]-7-oxoheptanoate with MolForge

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Related Compounds

17-[[(2S)-1-(2,5-dihydroxypyrrol-1-yl)oxy-1-oxopropan-2-yl]carbamoyl]pentatriacontan-18-yl octadecanoate
CID 53735171
7-O-tert-butyl 1-O-(2,5-dihydroxypyrrol-1-yl) (2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanedioate
CID 54429730
[3-[4-[2-[2-[2-[2-(2,5-Dihydroxypyrrol-1-yl)oxy-2-oxoethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
CID 54567786
(2,5-dihydroxypyrrol-1-yl) (2S)-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxycarbonylamino]-4-methylpentanoate
CID 90714675
18-[[1-Carboxy-4-[2-[2-[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 90792728
Tert-butyl 18-[[5-[2-[2-[2-[2-[2-[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-18-oxooctadecanoate
CID 90792876
Tert-butyl 16-[2-[2-[3-[[4-(2,5-dihydroxypyrrol-1-yl)oxy-4-oxobutanoyl]amino]propoxy]ethoxy]ethoxy-propylamino]-16-oxohexadecanoate
CID 90800379
(2,5-Dihydroxypyrrol-1-yl) 4-[[1,6-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-2-oxoethyl]amino]-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1-oxohept-6-en-3-yl]amino]-4-oxobutanoate
CID 90807655
(2,5-Dihydroxypyrrol-1-yl) 6-[[4-acetamido-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoyl]amino]hexanoate
CID 90815581
(2,5-Dihydroxypyrrol-1-yl) 6-[1,3-bis[2-[2-[2-(2-heptoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-yloxycarbonylamino]hexanoate
CID 90831416
20-[[4-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]carbamoyl]cyclohexyl]methylamino]-20-oxoicosanoic acid
CID 90832014
(2,5-dihydroxypyrrol-1-yl) 2-[[2-[[(2S)-4-methyl-2-[[(2S)-3-methyl-2-(methylamino)pentanoyl]amino]pentanoyl]amino]acetyl]amino]acetate
CID 90833536

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 7-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]carbamoyl]-7-oxoheptanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 7-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]carbamoyl]-7-oxoheptanoate (CID 91218491) is (2,5-dihydroxypyrrol-1-yl) 7-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]carbamoyl]-7-oxoheptanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 7-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]carbamoyl]-7-oxoheptanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 7-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]carbamoyl]-7-oxoheptanoate is COCCOCCOCCOCCNC(=O)CN(CCOCCOCCOCCOC)C(=O)CC(CCCC(=O)On1c(O)ccc1O)C(=O)N(CCOCCOCCOCCOC)CC(=O)NCCOCCOCCOCCOC.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 7-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]carbamoyl]-7-oxoheptanoate?
The InChIKey is UTRPHALKNKPZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H95N5O24/c1-65-18-22-73-34-38-77-30-26-69-14-10-53-46(58)43-55(12-16-71-28-32-79-40-36-75-24-20-67-3)50(62)42-45(6-5-7-51(63)81-57-48(60)8-9-49(57)61)52(64)56(13-17-72-29-33-80-41-37-76-25-21-68-4)44-47(59)54-11-15-70-27-31-78-39-35-74-23-19-66-2/h8-9,45,60-61H,5-7,10-44H2,1-4H3,(H,53,58)(H,54,59).
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 7-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]carbamoyl]-7-oxoheptanoate?
(2,5-dihydroxypyrrol-1-yl) 7-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]carbamoyl]-7-oxoheptanoate has a molecular weight of 1174.34 g/mol, XLogP of -1.29, 60 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 7-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]carbamoyl]-7-oxoheptanoate is sourced from PubChem (CID 91218491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).