2-[2-acetyloxyethyl-[2-(3-hydroxypropylamino)-2-oxoethyl]amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethyl]sulfanylacetate;2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[methyl-[2-oxo-2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]acetate;2-[2-[2-[2-[2-[2-[2-(butoxycarbonylamino)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-[2-(methoxycarbonylamino)acetyl]oxyethyl-(2-oxopropyl)amino]ethyl propanoate;2-[2-[2-[2-oxo-2-[2-[2-(4-oxo-4-propoxybutoxy)ethoxy]ethylamino]ethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-oxopropyl(2-propanoyloxyethyl)amino]ethyl 2-(methoxycarbonylamino)propanoate

C138H234N18O61S — CID 160521664

IUPAC2-[2-acetyloxyethyl-[2-(3-hydroxypropylamino)-2-oxoethyl]amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethyl]sulfanylacetate;2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[methyl-[2-oxo-2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]acetate;2-[2-[2-[2-[2-[2-[2-(butoxycarbonylamino)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-[2-(methoxycarbonylamino)acetyl]oxyethyl-(2-oxopropyl)amino]ethyl propanoate;2-[2-[2-[2-oxo-2-[2-[2-(4-oxo-4-propoxybutoxy)ethoxy]ethylamino]ethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-oxopropyl(2-propanoyloxyethyl)amino]ethyl 2-(methoxycarbonylamino)propanoate
SMILESCCC(=O)OCCN(CCOC(=O)C(C)NC(=O)OC)CC(C)=O.CCC(=O)OCCN(CCOC(=O)CNC(=O)OC)CC(C)=O.CCCCOC(=O)NCCOCCOCCNC(=O)COCC(=O)OCCN(CCOC(=O)CCCCN1C(=O)C=CC1=O)CC(C)=O.CCCOC(=O)CCCOCCOCCNC(=O)COCC(=O)OCCN(CCOC(=O)CCCCN1C(=O)C=CC1=O)CC(C)=O.CCCOC(=O)NCCOCCOC(=O)CN(C)CC(=O)OCCN(CCOC(C)=O)CC(C)=O.CCCOC(=O)NCCOCCOCCNC(=O)CSCC(=O)OCCN(CCOC(C)=O)CC(=O)NCCCO
InChIInChI=1S/C31H50N4O13.C31H49N3O13.C25H46N4O11S.C22H39N3O10.C15H26N2O7.C14H24N2O7/c1-3-4-15-48-31(42)33-11-17-44-21-20-43-16-10-32-26(37)23-45-24-30(41)47-19-14-34(22-25(2)36)13-18-46-29(40)7-5-6-12-35-27(38)8-9-28(35)39;1-3-15-45-30(40)8-6-16-42-20-21-43-17-11-32-26(36)23-44-24-31(41)47-19-14-33(22-25(2)35)13-18-46-29(39)7-4-5-12-34-27(37)9-10-28(34)38;1-3-11-40-25(35)28-7-13-37-17-16-36-12-6-27-23(33)19-41-20-24(34)39-15-9-29(8-14-38-21(2)31)18-22(32)26-5-4-10-30;1-5-9-35-22(30)23-6-10-31-13-14-34-21(29)17-24(4)16-20(28)33-12-8-25(15-18(2)26)7-11-32-19(3)27;1-5-13(19)23-8-6-17(10-11(2)18)7-9-24-14(20)12(3)16-15(21)22-4;1-4-12(18)22-7-5-16(10-11(2)17)6-8-23-13(19)9-15-14(20)21-3/h8-9H,3-7,10-24H2,1-2H3,(H,32,37)(H,33,42);9-10H,3-8,11-24H2,1-2H3,(H,32,36);30H,3-20H2,1-2H3,(H,26,32)(H,27,33)(H,28,35);5-17H2,1-4H3,(H,23,30);12H,5-10H2,1-4H3,(H,16,21);4-10H2,1-3H3,(H,15,20)
InChIKeyQUIXAAKXUCHWMM-UHFFFAOYSA-N
MW3153.52 g/mol
LogP-1.92
Rot. Bonds126

About 2-[2-acetyloxyethyl-[2-(3-hydroxypropylamino)-2-oxoethyl]amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethyl]sulfanylacetate;2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[methyl-[2-oxo-2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]acetate;2-[2-[2-[2-[2-[2-[2-(butoxycarbonylamino)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-[2-(methoxycarbonylamino)acetyl]oxyethyl-(2-oxopropyl)amino]ethyl propanoate;2-[2-[2-[2-oxo-2-[2-[2-(4-oxo-4-propoxybutoxy)ethoxy]ethylamino]ethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-oxopropyl(2-propanoyloxyethyl)amino]ethyl 2-(methoxycarbonylamino)propanoate

2-[2-acetyloxyethyl-[2-(3-hydroxypropylamino)-2-oxoethyl]amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethyl]sulfanylacetate;2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[methyl-[2-oxo-2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]acetate;2-[2-[2-[2-[2-[2-[2-(butoxycarbonylamino)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-[2-(methoxycarbonylamino)acetyl]oxyethyl-(2-oxopropyl)amino]ethyl propanoate;2-[2-[2-[2-oxo-2-[2-[2-(4-oxo-4-propoxybutoxy)ethoxy]ethylamino]ethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-oxopropyl(2-propanoyloxyethyl)amino]ethyl 2-(methoxycarbonylamino)propanoate (PubChem CID 160521664) has the molecular formula C138H234N18O61S and a molecular weight of 3153.52 g/mol. Its IUPAC name is 2-[2-acetyloxyethyl-[2-(3-hydroxypropylamino)-2-oxoethyl]amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethyl]sulfanylacetate;2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[methyl-[2-oxo-2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]acetate;2-[2-[2-[2-[2-[2-[2-(butoxycarbonylamino)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-[2-(methoxycarbonylamino)acetyl]oxyethyl-(2-oxopropyl)amino]ethyl propanoate;2-[2-[2-[2-oxo-2-[2-[2-(4-oxo-4-propoxybutoxy)ethoxy]ethylamino]ethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-oxopropyl(2-propanoyloxyethyl)amino]ethyl 2-(methoxycarbonylamino)propanoate.

Molecular Properties

Compound Name2-[2-acetyloxyethyl-[2-(3-hydroxypropylamino)-2-oxoethyl]amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethyl]sulfanylacetate;2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[methyl-[2-oxo-2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]acetate;2-[2-[2-[2-[2-[2-[2-(butoxycarbonylamino)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-[2-(methoxycarbonylamino)acetyl]oxyethyl-(2-oxopropyl)amino]ethyl propanoate;2-[2-[2-[2-oxo-2-[2-[2-(4-oxo-4-propoxybutoxy)ethoxy]ethylamino]ethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-oxopropyl(2-propanoyloxyethyl)amino]ethyl 2-(methoxycarbonylamino)propanoate
PubChem CID160521664
Molecular FormulaC138H234N18O61S
Molecular Weight3153.52 g/mol
Exact Mass3151.55
IUPAC Name2-[2-acetyloxyethyl-[2-(3-hydroxypropylamino)-2-oxoethyl]amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethyl]sulfanylacetate;2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[methyl-[2-oxo-2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]acetate;2-[2-[2-[2-[2-[2-[2-(butoxycarbonylamino)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-[2-(methoxycarbonylamino)acetyl]oxyethyl-(2-oxopropyl)amino]ethyl propanoate;2-[2-[2-[2-oxo-2-[2-[2-(4-oxo-4-propoxybutoxy)ethoxy]ethylamino]ethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-oxopropyl(2-propanoyloxyethyl)amino]ethyl 2-(methoxycarbonylamino)propanoate
SMILESCCC(=O)OCCN(CCOC(=O)C(C)NC(=O)OC)CC(C)=O.CCC(=O)OCCN(CCOC(=O)CNC(=O)OC)CC(C)=O.CCCCOC(=O)NCCOCCOCCNC(=O)COCC(=O)OCCN(CCOC(=O)CCCCN1C(=O)C=CC1=O)CC(C)=O.CCCOC(=O)CCCOCCOCCNC(=O)COCC(=O)OCCN(CCOC(=O)CCCCN1C(=O)C=CC1=O)CC(C)=O.CCCOC(=O)NCCOCCOC(=O)CN(C)CC(=O)OCCN(CCOC(C)=O)CC(C)=O.CCCOC(=O)NCCOCCOCCNC(=O)CSCC(=O)OCCN(CCOC(C)=O)CC(=O)NCCCO
InChIInChI=1S/C31H50N4O13.C31H49N3O13.C25H46N4O11S.C22H39N3O10.C15H26N2O7.C14H24N2O7/c1-3-4-15-48-31(42)33-11-17-44-21-20-43-16-10-32-26(37)23-45-24-30(41)47-19-14-34(22-25(2)36)13-18-46-29(40)7-5-6-12-35-27(38)8-9-28(35)39;1-3-15-45-30(40)8-6-16-42-20-21-43-17-11-32-26(36)23-44-24-31(41)47-19-14-33(22-25(2)35)13-18-46-29(39)7-4-5-12-34-27(37)9-10-28(34)38;1-3-11-40-25(35)28-7-13-37-17-16-36-12-6-27-23(33)19-41-20-24(34)39-15-9-29(8-14-38-21(2)31)18-22(32)26-5-4-10-30;1-5-9-35-22(30)23-6-10-31-13-14-34-21(29)17-24(4)16-20(28)33-12-8-25(15-18(2)26)7-11-32-19(3)27;1-5-13(19)23-8-6-17(10-11(2)18)7-9-24-14(20)12(3)16-15(21)22-4;1-4-12(18)22-7-5-16(10-11(2)17)6-8-23-13(19)9-15-14(20)21-3/h8-9H,3-7,10-24H2,1-2H3,(H,32,37)(H,33,42);9-10H,3-8,11-24H2,1-2H3,(H,32,36);30H,3-20H2,1-2H3,(H,26,32)(H,27,33)(H,28,35);5-17H2,1-4H3,(H,23,30);12H,5-10H2,1-4H3,(H,16,21);4-10H2,1-3H3,(H,15,20)
InChIKeyQUIXAAKXUCHWMM-UHFFFAOYSA-N
XLogP-1.92
TPSA962.34 Ų
H-Bond Donors10
H-Bond Acceptors69
Rotatable Bonds126
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003153.52
LogP ≤ 5-1.92
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1069

Computed Properties (RDKit)

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

Analyze 2-[2-acetyloxyethyl-[2-(3-hydroxypropylamino)-2-oxoethyl]amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethyl]sulfanylacetate;2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[methyl-[2-oxo-2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]acetate;2-[2-[2-[2-[2-[2-[2-(butoxycarbonylamino)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-[2-(methoxycarbonylamino)acetyl]oxyethyl-(2-oxopropyl)amino]ethyl propanoate;2-[2-[2-[2-oxo-2-[2-[2-(4-oxo-4-propoxybutoxy)ethoxy]ethylamino]ethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-oxopropyl(2-propanoyloxyethyl)amino]ethyl 2-(methoxycarbonylamino)propanoate with MolForge

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Launch Full Analysis

Related Compounds

2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethoxy]acetate
CID 59770643
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
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-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxycarbonylamino]acetyl]oxy-(2-oxopropyl)amino]ethyl 2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxycarbonylamino]acetate
CID 59689060
butyl 2-[[2-[[6-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-oxohexanoyl]amino]acetyl]amino]propanoate
CID 174218902
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
2-[2-[2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetate
CID 58715719
3-(3-methoxypropoxycarbonylamino)propyl 2-[2-[2-[2-acetyloxyethyl(2-oxopropyl)amino]ethoxy]-2-oxoethoxy]acetate
CID 58922174
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
CID 58962211
CID 58962211
3-hydroxy-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]propanamide;1-(4-oxopentyl)pyrrole-2,5-dione
CID 90742825
(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

Frequently Asked Questions

What is the IUPAC name of 2-[2-acetyloxyethyl-[2-(3-hydroxypropylamino)-2-oxoethyl]amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethyl]sulfanylacetate;2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[methyl-[2-oxo-2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]acetate;2-[2-[2-[2-[2-[2-[2-(butoxycarbonylamino)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-[2-(methoxycarbonylamino)acetyl]oxyethyl-(2-oxopropyl)amino]ethyl propanoate;2-[2-[2-[2-oxo-2-[2-[2-(4-oxo-4-propoxybutoxy)ethoxy]ethylamino]ethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-oxopropyl(2-propanoyloxyethyl)amino]ethyl 2-(methoxycarbonylamino)propanoate?
The IUPAC name of 2-[2-acetyloxyethyl-[2-(3-hydroxypropylamino)-2-oxoethyl]amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethyl]sulfanylacetate;2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[methyl-[2-oxo-2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]acetate;2-[2-[2-[2-[2-[2-[2-(butoxycarbonylamino)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-[2-(methoxycarbonylamino)acetyl]oxyethyl-(2-oxopropyl)amino]ethyl propanoate;2-[2-[2-[2-oxo-2-[2-[2-(4-oxo-4-propoxybutoxy)ethoxy]ethylamino]ethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-oxopropyl(2-propanoyloxyethyl)amino]ethyl 2-(methoxycarbonylamino)propanoate (CID 160521664) is 2-[2-acetyloxyethyl-[2-(3-hydroxypropylamino)-2-oxoethyl]amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethyl]sulfanylacetate;2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[methyl-[2-oxo-2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]acetate;2-[2-[2-[2-[2-[2-[2-(butoxycarbonylamino)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-[2-(methoxycarbonylamino)acetyl]oxyethyl-(2-oxopropyl)amino]ethyl propanoate;2-[2-[2-[2-oxo-2-[2-[2-(4-oxo-4-propoxybutoxy)ethoxy]ethylamino]ethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-oxopropyl(2-propanoyloxyethyl)amino]ethyl 2-(methoxycarbonylamino)propanoate.
What is the SMILES notation for 2-[2-acetyloxyethyl-[2-(3-hydroxypropylamino)-2-oxoethyl]amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethyl]sulfanylacetate;2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[methyl-[2-oxo-2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]acetate;2-[2-[2-[2-[2-[2-[2-(butoxycarbonylamino)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-[2-(methoxycarbonylamino)acetyl]oxyethyl-(2-oxopropyl)amino]ethyl propanoate;2-[2-[2-[2-oxo-2-[2-[2-(4-oxo-4-propoxybutoxy)ethoxy]ethylamino]ethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-oxopropyl(2-propanoyloxyethyl)amino]ethyl 2-(methoxycarbonylamino)propanoate?
The canonical SMILES for 2-[2-acetyloxyethyl-[2-(3-hydroxypropylamino)-2-oxoethyl]amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethyl]sulfanylacetate;2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[methyl-[2-oxo-2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]acetate;2-[2-[2-[2-[2-[2-[2-(butoxycarbonylamino)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-[2-(methoxycarbonylamino)acetyl]oxyethyl-(2-oxopropyl)amino]ethyl propanoate;2-[2-[2-[2-oxo-2-[2-[2-(4-oxo-4-propoxybutoxy)ethoxy]ethylamino]ethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-oxopropyl(2-propanoyloxyethyl)amino]ethyl 2-(methoxycarbonylamino)propanoate is CCC(=O)OCCN(CCOC(=O)C(C)NC(=O)OC)CC(C)=O.CCC(=O)OCCN(CCOC(=O)CNC(=O)OC)CC(C)=O.CCCCOC(=O)NCCOCCOCCNC(=O)COCC(=O)OCCN(CCOC(=O)CCCCN1C(=O)C=CC1=O)CC(C)=O.CCCOC(=O)CCCOCCOCCNC(=O)COCC(=O)OCCN(CCOC(=O)CCCCN1C(=O)C=CC1=O)CC(C)=O.CCCOC(=O)NCCOCCOC(=O)CN(C)CC(=O)OCCN(CCOC(C)=O)CC(C)=O.CCCOC(=O)NCCOCCOCCNC(=O)CSCC(=O)OCCN(CCOC(C)=O)CC(=O)NCCCO.
What is the InChIKey of 2-[2-acetyloxyethyl-[2-(3-hydroxypropylamino)-2-oxoethyl]amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethyl]sulfanylacetate;2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[methyl-[2-oxo-2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]acetate;2-[2-[2-[2-[2-[2-[2-(butoxycarbonylamino)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-[2-(methoxycarbonylamino)acetyl]oxyethyl-(2-oxopropyl)amino]ethyl propanoate;2-[2-[2-[2-oxo-2-[2-[2-(4-oxo-4-propoxybutoxy)ethoxy]ethylamino]ethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-oxopropyl(2-propanoyloxyethyl)amino]ethyl 2-(methoxycarbonylamino)propanoate?
The InChIKey is QUIXAAKXUCHWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H50N4O13.C31H49N3O13.C25H46N4O11S.C22H39N3O10.C15H26N2O7.C14H24N2O7/c1-3-4-15-48-31(42)33-11-17-44-21-20-43-16-10-32-26(37)23-45-24-30(41)47-19-14-34(22-25(2)36)13-18-46-29(40)7-5-6-12-35-27(38)8-9-28(35)39;1-3-15-45-30(40)8-6-16-42-20-21-43-17-11-32-26(36)23-44-24-31(41)47-19-14-33(22-25(2)35)13-18-46-29(39)7-4-5-12-34-27(37)9-10-28(34)38;1-3-11-40-25(35)28-7-13-37-17-16-36-12-6-27-23(33)19-41-20-24(34)39-15-9-29(8-14-38-21(2)31)18-22(32)26-5-4-10-30;1-5-9-35-22(30)23-6-10-31-13-14-34-21(29)17-24(4)16-20(28)33-12-8-25(15-18(2)26)7-11-32-19(3)27;1-5-13(19)23-8-6-17(10-11(2)18)7-9-24-14(20)12(3)16-15(21)22-4;1-4-12(18)22-7-5-16(10-11(2)17)6-8-23-13(19)9-15-14(20)21-3/h8-9H,3-7,10-24H2,1-2H3,(H,32,37)(H,33,42);9-10H,3-8,11-24H2,1-2H3,(H,32,36);30H,3-20H2,1-2H3,(H,26,32)(H,27,33)(H,28,35);5-17H2,1-4H3,(H,23,30);12H,5-10H2,1-4H3,(H,16,21);4-10H2,1-3H3,(H,15,20).
What are the key properties of 2-[2-acetyloxyethyl-[2-(3-hydroxypropylamino)-2-oxoethyl]amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethyl]sulfanylacetate;2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[methyl-[2-oxo-2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]acetate;2-[2-[2-[2-[2-[2-[2-(butoxycarbonylamino)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-[2-(methoxycarbonylamino)acetyl]oxyethyl-(2-oxopropyl)amino]ethyl propanoate;2-[2-[2-[2-oxo-2-[2-[2-(4-oxo-4-propoxybutoxy)ethoxy]ethylamino]ethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-oxopropyl(2-propanoyloxyethyl)amino]ethyl 2-(methoxycarbonylamino)propanoate?
2-[2-acetyloxyethyl-[2-(3-hydroxypropylamino)-2-oxoethyl]amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethyl]sulfanylacetate;2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[methyl-[2-oxo-2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]acetate;2-[2-[2-[2-[2-[2-[2-(butoxycarbonylamino)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-[2-(methoxycarbonylamino)acetyl]oxyethyl-(2-oxopropyl)amino]ethyl propanoate;2-[2-[2-[2-oxo-2-[2-[2-(4-oxo-4-propoxybutoxy)ethoxy]ethylamino]ethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-oxopropyl(2-propanoyloxyethyl)amino]ethyl 2-(methoxycarbonylamino)propanoate has a molecular weight of 3153.52 g/mol, XLogP of -1.92, 126 rotatable bonds, 10 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetyloxyethyl-[2-(3-hydroxypropylamino)-2-oxoethyl]amino]ethyl 2-[2-oxo-2-[2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethylamino]ethyl]sulfanylacetate;2-[2-acetyloxyethyl(2-oxopropyl)amino]ethyl 2-[methyl-[2-oxo-2-[2-[2-(propoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]acetate;2-[2-[2-[2-[2-[2-[2-(butoxycarbonylamino)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-[2-(methoxycarbonylamino)acetyl]oxyethyl-(2-oxopropyl)amino]ethyl propanoate;2-[2-[2-[2-oxo-2-[2-[2-(4-oxo-4-propoxybutoxy)ethoxy]ethylamino]ethoxy]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate;2-[2-oxopropyl(2-propanoyloxyethyl)amino]ethyl 2-(methoxycarbonylamino)propanoate is sourced from PubChem (CID 160521664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).