methyl 3-[5-[[5-[[5-[[5-formyl-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-1-(2-trimethylsilylethylamino)pyrrol-3-yl]propanoate

C53H73N5O17Si — CID 100986573

IUPACmethyl 3-[5-[[5-[[5-[[5-formyl-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-1-(2-trimethylsilylethylamino)pyrrol-3-yl]propanoate
SMILESCOC(=O)CCc1cn(NCC[Si](C)(C)C)c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]c(C=O)c(CC(=O)OC)c4CCC(=O)OC)c(CC(=O)OC)c3CCC(=O)OC)c(CC(=O)OC)c2CCC(=O)OC)c1CC(=O)OC
InChIInChI=1S/C53H73N5O17Si/c1-68-46(60)16-12-31-29-58(54-20-21-76(9,10)11)45(35(31)22-50(64)72-5)28-43-33(14-18-48(62)70-3)37(24-52(66)74-7)42(56-43)26-39-32(13-17-47(61)69-2)36(23-51(65)73-6)41(55-39)27-40-34(15-19-49(63)71-4)38(25-53(67)75-8)44(30-59)57-40/h29-30,54-57H,12-28H2,1-11H3
InChIKeyYRLLYFGWFJSASM-UHFFFAOYSA-N
MW1080.27 g/mol
LogP4.22
Rot. Bonds31

About methyl 3-[5-[[5-[[5-[[5-formyl-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-1-(2-trimethylsilylethylamino)pyrrol-3-yl]propanoate

methyl 3-[5-[[5-[[5-[[5-formyl-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-1-(2-trimethylsilylethylamino)pyrrol-3-yl]propanoate (PubChem CID 100986573) has the molecular formula C53H73N5O17Si and a molecular weight of 1080.27 g/mol. Its IUPAC name is methyl 3-[5-[[5-[[5-[[5-formyl-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-1-(2-trimethylsilylethylamino)pyrrol-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[5-[[5-[[5-[[5-formyl-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-1-(2-trimethylsilylethylamino)pyrrol-3-yl]propanoate
PubChem CID100986573
Molecular FormulaC53H73N5O17Si
Molecular Weight1080.27 g/mol
Exact Mass1079.48
IUPAC Namemethyl 3-[5-[[5-[[5-[[5-formyl-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-1-(2-trimethylsilylethylamino)pyrrol-3-yl]propanoate
SMILESCOC(=O)CCc1cn(NCC[Si](C)(C)C)c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]c(C=O)c(CC(=O)OC)c4CCC(=O)OC)c(CC(=O)OC)c3CCC(=O)OC)c(CC(=O)OC)c2CCC(=O)OC)c1CC(=O)OC
InChIInChI=1S/C53H73N5O17Si/c1-68-46(60)16-12-31-29-58(54-20-21-76(9,10)11)45(35(31)22-50(64)72-5)28-43-33(14-18-48(62)70-3)37(24-52(66)74-7)42(56-43)26-39-32(13-17-47(61)69-2)36(23-51(65)73-6)41(55-39)27-40-34(15-19-49(63)71-4)38(25-53(67)75-8)44(30-59)57-40/h29-30,54-57H,12-28H2,1-11H3
InChIKeyYRLLYFGWFJSASM-UHFFFAOYSA-N
XLogP4.22
TPSA291.80 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds31
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001080.27
LogP ≤ 54.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze methyl 3-[5-[[5-[[5-[[5-formyl-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-1-(2-trimethylsilylethylamino)pyrrol-3-yl]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-[[5-[[5-[[5-formyl-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-1-(2-trimethylsilylethylamino)pyrrol-3-yl]propanoate?
The IUPAC name of methyl 3-[5-[[5-[[5-[[5-formyl-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-1-(2-trimethylsilylethylamino)pyrrol-3-yl]propanoate (CID 100986573) is methyl 3-[5-[[5-[[5-[[5-formyl-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-1-(2-trimethylsilylethylamino)pyrrol-3-yl]propanoate.
What is the SMILES notation for methyl 3-[5-[[5-[[5-[[5-formyl-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-1-(2-trimethylsilylethylamino)pyrrol-3-yl]propanoate?
The canonical SMILES for methyl 3-[5-[[5-[[5-[[5-formyl-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-1-(2-trimethylsilylethylamino)pyrrol-3-yl]propanoate is COC(=O)CCc1cn(NCC[Si](C)(C)C)c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]c(C=O)c(CC(=O)OC)c4CCC(=O)OC)c(CC(=O)OC)c3CCC(=O)OC)c(CC(=O)OC)c2CCC(=O)OC)c1CC(=O)OC.
What is the InChIKey of methyl 3-[5-[[5-[[5-[[5-formyl-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-1-(2-trimethylsilylethylamino)pyrrol-3-yl]propanoate?
The InChIKey is YRLLYFGWFJSASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H73N5O17Si/c1-68-46(60)16-12-31-29-58(54-20-21-76(9,10)11)45(35(31)22-50(64)72-5)28-43-33(14-18-48(62)70-3)37(24-52(66)74-7)42(56-43)26-39-32(13-17-47(61)69-2)36(23-51(65)73-6)41(55-39)27-40-34(15-19-49(63)71-4)38(25-53(67)75-8)44(30-59)57-40/h29-30,54-57H,12-28H2,1-11H3.
What are the key properties of methyl 3-[5-[[5-[[5-[[5-formyl-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-1-(2-trimethylsilylethylamino)pyrrol-3-yl]propanoate?
methyl 3-[5-[[5-[[5-[[5-formyl-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-1-(2-trimethylsilylethylamino)pyrrol-3-yl]propanoate has a molecular weight of 1080.27 g/mol, XLogP of 4.22, 31 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-[[5-[[5-[[5-formyl-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-1-(2-trimethylsilylethylamino)pyrrol-3-yl]propanoate is sourced from PubChem (CID 100986573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).