2-[[2-[2-[2-[2-(3-ethenylsulfonylpropanoylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-ethenylsulfonylpropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-[3-(2-hydroxyethylsulfonyl)propylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-hydroxypropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate

C128H235N17O63S3 — CID 158001634

IUPAC2-[[2-[2-[2-[2-(3-ethenylsulfonylpropanoylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-ethenylsulfonylpropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-[3-(2-hydroxyethylsulfonyl)propylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-hydroxypropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate
SMILESC=CS(=O)(=O)CCC(=O)NCCOCCOCCNC(=O)CN(CCOC(=O)COCCOCCNC(=O)OCCC)CCOC(=O)COCCOCCNC(=O)OCCC.C=CS(=O)(=O)CCCNC(=O)CN(CCOC(=O)COCCOCCNC(=O)OCCC)CCOC(=O)COCCOCCNC(=O)OCCC.CCCOC(=O)NCCOCCOCC(=O)OCCN(CCOC(=O)COCCOCCNC(=O)OCCC)CC(=O)NCCCO.CCCOC(=O)NCCOCCOCC(=O)OCCN(CCOC(=O)COCCOCCNC(=O)OCCC)CC(=O)NCCCS(=O)(=O)CCO
InChIInChI=1S/C37H67N5O18S.C31H58N4O16S.C31H56N4O15S.C29H54N4O14/c1-4-14-59-36(47)40-10-18-53-24-26-55-30-34(45)57-20-12-42(13-21-58-35(46)31-56-27-25-54-19-11-41-37(48)60-15-5-2)29-33(44)39-9-17-52-23-22-51-16-8-38-32(43)7-28-61(49,50)6-3;1-3-12-50-30(40)33-7-14-44-18-20-46-25-28(38)48-16-9-35(24-27(37)32-6-5-22-52(42,43)23-11-36)10-17-49-29(39)26-47-21-19-45-15-8-34-31(41)51-13-4-2;1-4-13-49-30(39)33-9-15-43-19-21-45-25-28(37)47-17-11-35(24-27(36)32-8-7-23-51(41,42)6-3)12-18-48-29(38)26-46-22-20-44-16-10-34-31(40)50-14-5-2;1-3-12-46-28(38)31-7-14-40-18-20-42-23-26(36)44-16-9-33(22-25(35)30-6-5-11-34)10-17-45-27(37)24-43-21-19-41-15-8-32-29(39)47-13-4-2/h6H,3-5,7-31H2,1-2H3,(H,38,43)(H,39,44)(H,40,47)(H,41,48);36H,3-26H2,1-2H3,(H,32,37)(H,33,40)(H,34,41);6H,3-5,7-26H2,1-2H3,(H,32,36)(H,33,39)(H,34,40);34H,3-24H2,1-2H3,(H,30,35)(H,31,38)(H,32,39)
InChIKeyFDUNTOTWHPCOJI-UHFFFAOYSA-N
MW3116.55 g/mol
LogP-3.45
Rot. Bonds139

About 2-[[2-[2-[2-[2-(3-ethenylsulfonylpropanoylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-ethenylsulfonylpropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-[3-(2-hydroxyethylsulfonyl)propylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-hydroxypropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate

2-[[2-[2-[2-[2-(3-ethenylsulfonylpropanoylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-ethenylsulfonylpropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-[3-(2-hydroxyethylsulfonyl)propylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-hydroxypropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate (PubChem CID 158001634) has the molecular formula C128H235N17O63S3 and a molecular weight of 3116.55 g/mol. Its IUPAC name is 2-[[2-[2-[2-[2-(3-ethenylsulfonylpropanoylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-ethenylsulfonylpropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-[3-(2-hydroxyethylsulfonyl)propylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-hydroxypropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate.

Molecular Properties

Compound Name2-[[2-[2-[2-[2-(3-ethenylsulfonylpropanoylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-ethenylsulfonylpropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-[3-(2-hydroxyethylsulfonyl)propylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-hydroxypropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate
PubChem CID158001634
Molecular FormulaC128H235N17O63S3
Molecular Weight3116.55 g/mol
Exact Mass3114.49
IUPAC Name2-[[2-[2-[2-[2-(3-ethenylsulfonylpropanoylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-ethenylsulfonylpropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-[3-(2-hydroxyethylsulfonyl)propylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-hydroxypropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate
SMILESC=CS(=O)(=O)CCC(=O)NCCOCCOCCNC(=O)CN(CCOC(=O)COCCOCCNC(=O)OCCC)CCOC(=O)COCCOCCNC(=O)OCCC.C=CS(=O)(=O)CCCNC(=O)CN(CCOC(=O)COCCOCCNC(=O)OCCC)CCOC(=O)COCCOCCNC(=O)OCCC.CCCOC(=O)NCCOCCOCC(=O)OCCN(CCOC(=O)COCCOCCNC(=O)OCCC)CC(=O)NCCCO.CCCOC(=O)NCCOCCOCC(=O)OCCN(CCOC(=O)COCCOCCNC(=O)OCCC)CC(=O)NCCCS(=O)(=O)CCO
InChIInChI=1S/C37H67N5O18S.C31H58N4O16S.C31H56N4O15S.C29H54N4O14/c1-4-14-59-36(47)40-10-18-53-24-26-55-30-34(45)57-20-12-42(13-21-58-35(46)31-56-27-25-54-19-11-41-37(48)60-15-5-2)29-33(44)39-9-17-52-23-22-51-16-8-38-32(43)7-28-61(49,50)6-3;1-3-12-50-30(40)33-7-14-44-18-20-46-25-28(38)48-16-9-35(24-27(37)32-6-5-22-52(42,43)23-11-36)10-17-49-29(39)26-47-21-19-45-15-8-34-31(41)51-13-4-2;1-4-13-49-30(39)33-9-15-43-19-21-45-25-28(37)47-17-11-35(24-27(36)32-8-7-23-51(41,42)6-3)12-18-48-29(38)26-46-22-20-44-16-10-34-31(40)50-14-5-2;1-3-12-46-28(38)31-7-14-40-18-20-42-23-26(36)44-16-9-33(22-25(35)30-6-5-11-34)10-17-45-27(37)24-43-21-19-41-15-8-32-29(39)47-13-4-2/h6H,3-5,7-31H2,1-2H3,(H,38,43)(H,39,44)(H,40,47)(H,41,48);36H,3-26H2,1-2H3,(H,32,37)(H,33,40)(H,34,41);6H,3-5,7-26H2,1-2H3,(H,32,36)(H,33,39)(H,34,40);34H,3-24H2,1-2H3,(H,30,35)(H,31,38)(H,32,39)
InChIKeyFDUNTOTWHPCOJI-UHFFFAOYSA-N
XLogP-3.45
TPSA984.52 Ų
H-Bond Donors15
H-Bond Acceptors67
Rotatable Bonds139
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003116.55
LogP ≤ 5-3.45
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1067

Computed Properties (RDKit)

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

Analyze 2-[[2-[2-[2-[2-(3-ethenylsulfonylpropanoylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-ethenylsulfonylpropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-[3-(2-hydroxyethylsulfonyl)propylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-hydroxypropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate with MolForge

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Related Compounds

2-[[2-(3-hydroxypropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate
CID 58715725
3-[[2-[bis[2-[2-[2-oxo-2-[3-(propoxycarbonylamino)propoxy]ethoxy]acetyl]oxyethyl]amino]acetyl]amino]propyl 2-[2-[2-[2-[2-[2-[3-[[2-[bis[2-[2-[2-oxo-2-[3-(propoxycarbonylamino)propoxy]ethoxy]acetyl]oxyethyl]amino]acetyl]amino]propoxy]-2-oxoethoxy]acetyl]oxyethyl-ethylamino]ethoxy]-2-oxoethoxy]acetate
CID 90692797
CID 58962211
CID 58962211
2-[methyl-[2-[2-[2-oxo-2-[2-[2-[2-[[2-[2-[2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethoxy]acetyl]oxyethyl-[2-[2-[2-oxo-2-[3-[2-(propoxycarbonylamino)ethoxy]propoxymethylamino]ethoxy]acetyl]oxyethyl]amino]acetyl]amino]ethoxy]ethoxy]ethylamino]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-oxo-2-[2-[2-[2-[[2-[2-[2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethoxy]acetyl]oxyethyl-[2-[2-[2-oxo-2-[3-[2-(propoxycarbonylamino)ethoxy]propoxymethylamino]ethoxy]acetyl]oxyethyl]amino]acetyl]amino]ethoxy]ethoxy]ethylamino]ethoxy]acetate
CID 58922172
2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethoxy]acetate
CID 59770643
N-[4-[2-[2-[2-[2-[2-[2-(3-hydroxypropylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]octadecanamide
CID 166959227
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-oxo-2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylcarbamoyloxy]ethyl]amino]acetate
CID 23545229
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]acetamide
CID 168986576
ethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide
CID 170639867
4-amino-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 145188206
2-[bis[2-[carboxymethyl-[2-[2-[2-[2-(octadecanoylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 71308393
propyl 3-[2-(6-aminohexylcarbamoyloxy)ethyl-(2-hydroxyethyl)amino]propanoate
CID 153354034

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[2-[2-(3-ethenylsulfonylpropanoylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-ethenylsulfonylpropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-[3-(2-hydroxyethylsulfonyl)propylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-hydroxypropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate?
The IUPAC name of 2-[[2-[2-[2-[2-(3-ethenylsulfonylpropanoylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-ethenylsulfonylpropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-[3-(2-hydroxyethylsulfonyl)propylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-hydroxypropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate (CID 158001634) is 2-[[2-[2-[2-[2-(3-ethenylsulfonylpropanoylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-ethenylsulfonylpropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-[3-(2-hydroxyethylsulfonyl)propylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-hydroxypropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate.
What is the SMILES notation for 2-[[2-[2-[2-[2-(3-ethenylsulfonylpropanoylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-ethenylsulfonylpropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-[3-(2-hydroxyethylsulfonyl)propylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-hydroxypropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate?
The canonical SMILES for 2-[[2-[2-[2-[2-(3-ethenylsulfonylpropanoylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-ethenylsulfonylpropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-[3-(2-hydroxyethylsulfonyl)propylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-hydroxypropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate is C=CS(=O)(=O)CCC(=O)NCCOCCOCCNC(=O)CN(CCOC(=O)COCCOCCNC(=O)OCCC)CCOC(=O)COCCOCCNC(=O)OCCC.C=CS(=O)(=O)CCCNC(=O)CN(CCOC(=O)COCCOCCNC(=O)OCCC)CCOC(=O)COCCOCCNC(=O)OCCC.CCCOC(=O)NCCOCCOCC(=O)OCCN(CCOC(=O)COCCOCCNC(=O)OCCC)CC(=O)NCCCO.CCCOC(=O)NCCOCCOCC(=O)OCCN(CCOC(=O)COCCOCCNC(=O)OCCC)CC(=O)NCCCS(=O)(=O)CCO.
What is the InChIKey of 2-[[2-[2-[2-[2-(3-ethenylsulfonylpropanoylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-ethenylsulfonylpropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-[3-(2-hydroxyethylsulfonyl)propylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-hydroxypropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate?
The InChIKey is FDUNTOTWHPCOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H67N5O18S.C31H58N4O16S.C31H56N4O15S.C29H54N4O14/c1-4-14-59-36(47)40-10-18-53-24-26-55-30-34(45)57-20-12-42(13-21-58-35(46)31-56-27-25-54-19-11-41-37(48)60-15-5-2)29-33(44)39-9-17-52-23-22-51-16-8-38-32(43)7-28-61(49,50)6-3;1-3-12-50-30(40)33-7-14-44-18-20-46-25-28(38)48-16-9-35(24-27(37)32-6-5-22-52(42,43)23-11-36)10-17-49-29(39)26-47-21-19-45-15-8-34-31(41)51-13-4-2;1-4-13-49-30(39)33-9-15-43-19-21-45-25-28(37)47-17-11-35(24-27(36)32-8-7-23-51(41,42)6-3)12-18-48-29(38)26-46-22-20-44-16-10-34-31(40)50-14-5-2;1-3-12-46-28(38)31-7-14-40-18-20-42-23-26(36)44-16-9-33(22-25(35)30-6-5-11-34)10-17-45-27(37)24-43-21-19-41-15-8-32-29(39)47-13-4-2/h6H,3-5,7-31H2,1-2H3,(H,38,43)(H,39,44)(H,40,47)(H,41,48);36H,3-26H2,1-2H3,(H,32,37)(H,33,40)(H,34,41);6H,3-5,7-26H2,1-2H3,(H,32,36)(H,33,39)(H,34,40);34H,3-24H2,1-2H3,(H,30,35)(H,31,38)(H,32,39).
What are the key properties of 2-[[2-[2-[2-[2-(3-ethenylsulfonylpropanoylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-ethenylsulfonylpropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-[3-(2-hydroxyethylsulfonyl)propylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-hydroxypropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate?
2-[[2-[2-[2-[2-(3-ethenylsulfonylpropanoylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-ethenylsulfonylpropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-[3-(2-hydroxyethylsulfonyl)propylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-hydroxypropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate has a molecular weight of 3116.55 g/mol, XLogP of -3.45, 139 rotatable bonds, 15 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[2-[2-(3-ethenylsulfonylpropanoylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-ethenylsulfonylpropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-[3-(2-hydroxyethylsulfonyl)propylamino]-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate;2-[[2-(3-hydroxypropylamino)-2-oxoethyl]-[2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetyl]oxyethyl]amino]ethyl 2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]acetate is sourced from PubChem (CID 158001634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).