bis[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino] undecanedioate;(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate;(2,5-dioxopyrrolidin-1-yl) 8-[[2-[2-[2-[2-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]octanoate;(2,5-dioxopyrrolidin-1-yl) 8-[3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoylamino]octanoate

C209H340Cl3N21O70 — CID 157110628

IUPACbis[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino] undecanedioate;(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate;(2,5-dioxopyrrolidin-1-yl) 8-[[2-[2-[2-[2-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]octanoate;(2,5-dioxopyrrolidin-1-yl) 8-[3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoylamino]octanoate
SMILESO=C(CCCCCCCCCC(=O)NCCCCCCCC(=O)CCCCCCCCC(=O)ON1C(=O)CCC1=O)CCCCCCCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O.O=C(CCCCCCCCCC(=O)ONCCCCCCCC(=O)ON1C(=O)CCC1=O)ONCCCCCCCC(=O)ON1C(=O)CCC1=O.O=C(CCCOCCOCCOCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O)CCOCC(COCCC(=O)CCCOCCOCCOCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)NCCOCCOCCOCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O)NC(=O)CCCCCCCNC(=O)OCC(Cl)(Cl)Cl.O=C(COCCOCCOCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C89H146Cl3N9O33.C53H88N4O12.C35H56N4O12.C32H50N4O13/c90-89(91,92)70-131-87(118)97-44-20-12-1-5-13-25-77(108)98-88(67-128-48-35-71(102)23-21-46-119-55-61-125-63-57-121-50-37-73(104)93-41-17-9-2-6-14-26-84(115)132-99-78(109)29-30-79(99)110,68-129-49-36-72(103)24-22-47-120-56-62-126-64-58-122-51-38-74(105)94-42-18-10-3-7-15-27-85(116)133-100-80(111)31-32-81(100)112)69-130-53-40-76(107)96-45-54-124-60-66-127-65-59-123-52-39-75(106)95-43-19-11-4-8-16-28-86(117)134-101-82(113)33-34-83(101)114;58-44(31-21-11-4-6-15-25-35-47(61)55-43-29-19-9-17-27-37-53(67)69-57-50(64)40-41-51(57)65)30-20-10-2-1-3-14-24-34-46(60)54-42-28-18-8-13-23-33-45(59)32-22-12-5-7-16-26-36-52(66)68-56-48(62)38-39-49(56)63;40-28-22-23-29(41)38(28)50-34(46)20-14-8-4-10-16-26-36-48-32(44)18-12-6-2-1-3-7-13-19-33(45)49-37-27-17-11-5-9-15-21-35(47)51-39-30(42)24-25-31(39)43;37-25(33-17-9-5-1-3-7-11-31(43)48-35-27(39)13-14-28(35)40)23-46-21-19-45-20-22-47-24-26(38)34-18-10-6-2-4-8-12-32(44)49-36-29(41)15-16-30(36)42/h1-70H2,(H,93,104)(H,94,105)(H,95,106)(H,96,107)(H,97,118)(H,98,108);1-43H2,(H,54,60)(H,55,61);36-37H,1-27H2;1-24H2,(H,33,37)(H,34,38)
InChIKeyAGURNBBANPTYDS-UHFFFAOYSA-N
MW4373.46 g/mol
LogP22.48
Rot. Bonds194

About bis[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino] undecanedioate;(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate;(2,5-dioxopyrrolidin-1-yl) 8-[[2-[2-[2-[2-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]octanoate;(2,5-dioxopyrrolidin-1-yl) 8-[3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoylamino]octanoate

bis[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino] undecanedioate;(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate;(2,5-dioxopyrrolidin-1-yl) 8-[[2-[2-[2-[2-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]octanoate;(2,5-dioxopyrrolidin-1-yl) 8-[3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoylamino]octanoate (PubChem CID 157110628) has the molecular formula C209H340Cl3N21O70 and a molecular weight of 4373.46 g/mol. Its IUPAC name is bis[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino] undecanedioate;(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate;(2,5-dioxopyrrolidin-1-yl) 8-[[2-[2-[2-[2-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]octanoate;(2,5-dioxopyrrolidin-1-yl) 8-[3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoylamino]octanoate.

Molecular Properties

Compound Namebis[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino] undecanedioate;(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate;(2,5-dioxopyrrolidin-1-yl) 8-[[2-[2-[2-[2-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]octanoate;(2,5-dioxopyrrolidin-1-yl) 8-[3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoylamino]octanoate
PubChem CID157110628
Molecular FormulaC209H340Cl3N21O70
Molecular Weight4373.46 g/mol
Exact Mass4369.28
IUPAC Namebis[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino] undecanedioate;(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate;(2,5-dioxopyrrolidin-1-yl) 8-[[2-[2-[2-[2-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]octanoate;(2,5-dioxopyrrolidin-1-yl) 8-[3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoylamino]octanoate
SMILESO=C(CCCCCCCCCC(=O)NCCCCCCCC(=O)CCCCCCCCC(=O)ON1C(=O)CCC1=O)CCCCCCCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O.O=C(CCCCCCCCCC(=O)ONCCCCCCCC(=O)ON1C(=O)CCC1=O)ONCCCCCCCC(=O)ON1C(=O)CCC1=O.O=C(CCCOCCOCCOCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O)CCOCC(COCCC(=O)CCCOCCOCCOCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)NCCOCCOCCOCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O)NC(=O)CCCCCCCNC(=O)OCC(Cl)(Cl)Cl.O=C(COCCOCCOCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C89H146Cl3N9O33.C53H88N4O12.C35H56N4O12.C32H50N4O13/c90-89(91,92)70-131-87(118)97-44-20-12-1-5-13-25-77(108)98-88(67-128-48-35-71(102)23-21-46-119-55-61-125-63-57-121-50-37-73(104)93-41-17-9-2-6-14-26-84(115)132-99-78(109)29-30-79(99)110,68-129-49-36-72(103)24-22-47-120-56-62-126-64-58-122-51-38-74(105)94-42-18-10-3-7-15-27-85(116)133-100-80(111)31-32-81(100)112)69-130-53-40-76(107)96-45-54-124-60-66-127-65-59-123-52-39-75(106)95-43-19-11-4-8-16-28-86(117)134-101-82(113)33-34-83(101)114;58-44(31-21-11-4-6-15-25-35-47(61)55-43-29-19-9-17-27-37-53(67)69-57-50(64)40-41-51(57)65)30-20-10-2-1-3-14-24-34-46(60)54-42-28-18-8-13-23-33-45(59)32-22-12-5-7-16-26-36-52(66)68-56-48(62)38-39-49(56)63;40-28-22-23-29(41)38(28)50-34(46)20-14-8-4-10-16-26-36-48-32(44)18-12-6-2-1-3-7-13-19-33(45)49-37-27-17-11-5-9-15-21-35(47)51-39-30(42)24-25-31(39)43;37-25(33-17-9-5-1-3-7-11-31(43)48-35-27(39)13-14-28(35)40)23-46-21-19-45-20-22-47-24-26(38)34-18-10-6-2-4-8-12-32(44)49-36-29(41)15-16-30(36)42/h1-70H2,(H,93,104)(H,94,105)(H,95,106)(H,96,107)(H,97,118)(H,98,108);1-43H2,(H,54,60)(H,55,61);36-37H,1-27H2;1-24H2,(H,33,37)(H,34,38)
InChIKeyAGURNBBANPTYDS-UHFFFAOYSA-N
XLogP22.48
TPSA1156.74 Ų
H-Bond Donors12
H-Bond Acceptors72
Rotatable Bonds194
Heavy Atoms303
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004373.46
LogP ≤ 522.48
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1072

Computed Properties (RDKit)

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

Analyze bis[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino] undecanedioate;(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate;(2,5-dioxopyrrolidin-1-yl) 8-[[2-[2-[2-[2-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]octanoate;(2,5-dioxopyrrolidin-1-yl) 8-[3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoylamino]octanoate 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 bis[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino] undecanedioate;(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate;(2,5-dioxopyrrolidin-1-yl) 8-[[2-[2-[2-[2-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]octanoate;(2,5-dioxopyrrolidin-1-yl) 8-[3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoylamino]octanoate?
The IUPAC name of bis[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino] undecanedioate;(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate;(2,5-dioxopyrrolidin-1-yl) 8-[[2-[2-[2-[2-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]octanoate;(2,5-dioxopyrrolidin-1-yl) 8-[3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoylamino]octanoate (CID 157110628) is bis[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino] undecanedioate;(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate;(2,5-dioxopyrrolidin-1-yl) 8-[[2-[2-[2-[2-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]octanoate;(2,5-dioxopyrrolidin-1-yl) 8-[3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoylamino]octanoate.
What is the SMILES notation for bis[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino] undecanedioate;(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate;(2,5-dioxopyrrolidin-1-yl) 8-[[2-[2-[2-[2-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]octanoate;(2,5-dioxopyrrolidin-1-yl) 8-[3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoylamino]octanoate?
The canonical SMILES for bis[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino] undecanedioate;(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate;(2,5-dioxopyrrolidin-1-yl) 8-[[2-[2-[2-[2-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]octanoate;(2,5-dioxopyrrolidin-1-yl) 8-[3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoylamino]octanoate is O=C(CCCCCCCCCC(=O)NCCCCCCCC(=O)CCCCCCCCC(=O)ON1C(=O)CCC1=O)CCCCCCCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O.O=C(CCCCCCCCCC(=O)ONCCCCCCCC(=O)ON1C(=O)CCC1=O)ONCCCCCCCC(=O)ON1C(=O)CCC1=O.O=C(CCCOCCOCCOCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O)CCOCC(COCCC(=O)CCCOCCOCCOCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)NCCOCCOCCOCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O)NC(=O)CCCCCCCNC(=O)OCC(Cl)(Cl)Cl.O=C(COCCOCCOCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of bis[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino] undecanedioate;(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate;(2,5-dioxopyrrolidin-1-yl) 8-[[2-[2-[2-[2-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]octanoate;(2,5-dioxopyrrolidin-1-yl) 8-[3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoylamino]octanoate?
The InChIKey is AGURNBBANPTYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H146Cl3N9O33.C53H88N4O12.C35H56N4O12.C32H50N4O13/c90-89(91,92)70-131-87(118)97-44-20-12-1-5-13-25-77(108)98-88(67-128-48-35-71(102)23-21-46-119-55-61-125-63-57-121-50-37-73(104)93-41-17-9-2-6-14-26-84(115)132-99-78(109)29-30-79(99)110,68-129-49-36-72(103)24-22-47-120-56-62-126-64-58-122-51-38-74(105)94-42-18-10-3-7-15-27-85(116)133-100-80(111)31-32-81(100)112)69-130-53-40-76(107)96-45-54-124-60-66-127-65-59-123-52-39-75(106)95-43-19-11-4-8-16-28-86(117)134-101-82(113)33-34-83(101)114;58-44(31-21-11-4-6-15-25-35-47(61)55-43-29-19-9-17-27-37-53(67)69-57-50(64)40-41-51(57)65)30-20-10-2-1-3-14-24-34-46(60)54-42-28-18-8-13-23-33-45(59)32-22-12-5-7-16-26-36-52(66)68-56-48(62)38-39-49(56)63;40-28-22-23-29(41)38(28)50-34(46)20-14-8-4-10-16-26-36-48-32(44)18-12-6-2-1-3-7-13-19-33(45)49-37-27-17-11-5-9-15-21-35(47)51-39-30(42)24-25-31(39)43;37-25(33-17-9-5-1-3-7-11-31(43)48-35-27(39)13-14-28(35)40)23-46-21-19-45-20-22-47-24-26(38)34-18-10-6-2-4-8-12-32(44)49-36-29(41)15-16-30(36)42/h1-70H2,(H,93,104)(H,94,105)(H,95,106)(H,96,107)(H,97,118)(H,98,108);1-43H2,(H,54,60)(H,55,61);36-37H,1-27H2;1-24H2,(H,33,37)(H,34,38).
What are the key properties of bis[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino] undecanedioate;(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate;(2,5-dioxopyrrolidin-1-yl) 8-[[2-[2-[2-[2-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]octanoate;(2,5-dioxopyrrolidin-1-yl) 8-[3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoylamino]octanoate?
bis[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino] undecanedioate;(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate;(2,5-dioxopyrrolidin-1-yl) 8-[[2-[2-[2-[2-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]octanoate;(2,5-dioxopyrrolidin-1-yl) 8-[3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoylamino]octanoate has a molecular weight of 4373.46 g/mol, XLogP of 22.48, 194 rotatable bonds, 12 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino] undecanedioate;(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate;(2,5-dioxopyrrolidin-1-yl) 8-[[2-[2-[2-[2-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]octanoate;(2,5-dioxopyrrolidin-1-yl) 8-[3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoylamino]octanoate is sourced from PubChem (CID 157110628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).