(2,5-dioxopyrrolidin-1-yl) 12-[2,2-bis[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]butoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 12-[3-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]-2-[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]-2-methylpropoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoate

C168H261Cl3N16O66 — CID 159389075

IUPAC(2,5-dioxopyrrolidin-1-yl) 12-[2,2-bis[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]butoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 12-[3-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]-2-[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]-2-methylpropoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoate
SMILESCC(COCCC(=O)CCCCCCCCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O)COCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O.CCC(COCCC(=O)CCCCCCCCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O)COCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O.O=C(CCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)CCOCC(COCCC(=O)CCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)NC(=O)CCCCCCCNC(=O)OCC(Cl)(Cl)Cl
InChIInChI=1S/C65H101Cl3N6O30.C52H81N5O18.C51H79N5O18/c66-65(67,68)49-101-63(88)70-23-5-3-1-2-4-10-53(78)71-64(46-98-27-17-50(75)8-6-25-89-34-40-95-42-36-91-30-20-60(85)102-72-54(79)11-12-55(72)80,47-99-28-18-51(76)9-7-26-90-35-41-96-43-37-92-31-21-61(86)103-73-56(81)13-14-57(73)82)48-100-29-19-52(77)69-24-33-94-39-45-97-44-38-93-32-22-62(87)104-74-58(83)15-16-59(74)84;1-2-52(37-70-34-29-40(58)19-13-7-3-4-8-14-20-49(67)73-55-43(61)23-24-44(55)62,38-71-35-30-41(59)53-32-17-11-5-9-15-21-50(68)74-56-45(63)25-26-46(56)64)39-72-36-31-42(60)54-33-18-12-6-10-16-22-51(69)75-57-47(65)27-28-48(57)66;1-51(36-69-33-28-39(57)18-12-6-2-3-7-13-19-48(66)72-54-42(60)22-23-43(54)61,37-70-34-29-40(58)52-31-16-10-4-8-14-20-49(67)73-55-44(62)24-25-45(55)63)38-71-35-30-41(59)53-32-17-11-5-9-15-21-50(68)74-56-46(64)26-27-47(56)65/h1-49H2,(H,69,77)(H,70,88)(H,71,78);2-39H2,1H3,(H,53,59)(H,54,60);2-38H2,1H3,(H,52,58)(H,53,59)
InChIKeyLLWNFKCWACWTNH-UHFFFAOYSA-N
MW3667.34 g/mol
LogP12.12
Rot. Bonds153

About (2,5-dioxopyrrolidin-1-yl) 12-[2,2-bis[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]butoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 12-[3-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]-2-[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]-2-methylpropoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoate

(2,5-dioxopyrrolidin-1-yl) 12-[2,2-bis[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]butoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 12-[3-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]-2-[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]-2-methylpropoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoate (PubChem CID 159389075) has the molecular formula C168H261Cl3N16O66 and a molecular weight of 3667.34 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 12-[2,2-bis[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]butoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 12-[3-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]-2-[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]-2-methylpropoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 12-[2,2-bis[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]butoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 12-[3-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]-2-[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]-2-methylpropoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoate
PubChem CID159389075
Molecular FormulaC168H261Cl3N16O66
Molecular Weight3667.34 g/mol
Exact Mass3663.66
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 12-[2,2-bis[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]butoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 12-[3-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]-2-[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]-2-methylpropoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoate
SMILESCC(COCCC(=O)CCCCCCCCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O)COCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O.CCC(COCCC(=O)CCCCCCCCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O)COCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O.O=C(CCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)CCOCC(COCCC(=O)CCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)NC(=O)CCCCCCCNC(=O)OCC(Cl)(Cl)Cl
InChIInChI=1S/C65H101Cl3N6O30.C52H81N5O18.C51H79N5O18/c66-65(67,68)49-101-63(88)70-23-5-3-1-2-4-10-53(78)71-64(46-98-27-17-50(75)8-6-25-89-34-40-95-42-36-91-30-20-60(85)102-72-54(79)11-12-55(72)80,47-99-28-18-51(76)9-7-26-90-35-41-96-43-37-92-31-21-61(86)103-73-56(81)13-14-57(73)82)48-100-29-19-52(77)69-24-33-94-39-45-97-44-38-93-32-22-62(87)104-74-58(83)15-16-59(74)84;1-2-52(37-70-34-29-40(58)19-13-7-3-4-8-14-20-49(67)73-55-43(61)23-24-44(55)62,38-71-35-30-41(59)53-32-17-11-5-9-15-21-50(68)74-56-45(63)25-26-46(56)64)39-72-36-31-42(60)54-33-18-12-6-10-16-22-51(69)75-57-47(65)27-28-48(57)66;1-51(36-69-33-28-39(57)18-12-6-2-3-7-13-19-48(66)72-54-42(60)22-23-43(54)61,37-70-34-29-40(58)52-31-16-10-4-8-14-20-49(67)73-55-44(62)24-25-45(55)63)38-71-35-30-41(59)53-32-17-11-5-9-15-21-50(68)74-56-46(64)26-27-47(56)65/h1-49H2,(H,69,77)(H,70,88)(H,71,78);2-39H2,1H3,(H,53,59)(H,54,60);2-38H2,1H3,(H,52,58)(H,53,59)
InChIKeyLLWNFKCWACWTNH-UHFFFAOYSA-N
XLogP12.12
TPSA1020.47 Ų
H-Bond Donors7
H-Bond Acceptors66
Rotatable Bonds153
Heavy Atoms253
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003667.34
LogP ≤ 512.12
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1066

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 12-[2,2-bis[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]butoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 12-[3-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]-2-[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]-2-methylpropoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 12-[2,2-bis[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]butoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 12-[3-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]-2-[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]-2-methylpropoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 12-[2,2-bis[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]butoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 12-[3-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]-2-[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]-2-methylpropoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoate (CID 159389075) is (2,5-dioxopyrrolidin-1-yl) 12-[2,2-bis[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]butoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 12-[3-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]-2-[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]-2-methylpropoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 12-[2,2-bis[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]butoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 12-[3-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]-2-[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]-2-methylpropoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 12-[2,2-bis[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]butoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 12-[3-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]-2-[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]-2-methylpropoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoate is CC(COCCC(=O)CCCCCCCCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O)COCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O.CCC(COCCC(=O)CCCCCCCCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O)COCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O.O=C(CCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)CCOCC(COCCC(=O)CCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)NC(=O)CCCCCCCNC(=O)OCC(Cl)(Cl)Cl.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 12-[2,2-bis[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]butoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 12-[3-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]-2-[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]-2-methylpropoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoate?
The InChIKey is LLWNFKCWACWTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H101Cl3N6O30.C52H81N5O18.C51H79N5O18/c66-65(67,68)49-101-63(88)70-23-5-3-1-2-4-10-53(78)71-64(46-98-27-17-50(75)8-6-25-89-34-40-95-42-36-91-30-20-60(85)102-72-54(79)11-12-55(72)80,47-99-28-18-51(76)9-7-26-90-35-41-96-43-37-92-31-21-61(86)103-73-56(81)13-14-57(73)82)48-100-29-19-52(77)69-24-33-94-39-45-97-44-38-93-32-22-62(87)104-74-58(83)15-16-59(74)84;1-2-52(37-70-34-29-40(58)19-13-7-3-4-8-14-20-49(67)73-55-43(61)23-24-44(55)62,38-71-35-30-41(59)53-32-17-11-5-9-15-21-50(68)74-56-45(63)25-26-46(56)64)39-72-36-31-42(60)54-33-18-12-6-10-16-22-51(69)75-57-47(65)27-28-48(57)66;1-51(36-69-33-28-39(57)18-12-6-2-3-7-13-19-48(66)72-54-42(60)22-23-43(54)61,37-70-34-29-40(58)52-31-16-10-4-8-14-20-49(67)73-55-44(62)24-25-45(55)63)38-71-35-30-41(59)53-32-17-11-5-9-15-21-50(68)74-56-46(64)26-27-47(56)65/h1-49H2,(H,69,77)(H,70,88)(H,71,78);2-39H2,1H3,(H,53,59)(H,54,60);2-38H2,1H3,(H,52,58)(H,53,59).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 12-[2,2-bis[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]butoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 12-[3-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]-2-[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]-2-methylpropoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoate?
(2,5-dioxopyrrolidin-1-yl) 12-[2,2-bis[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]butoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 12-[3-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]-2-[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]-2-methylpropoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoate has a molecular weight of 3667.34 g/mol, XLogP of 12.12, 153 rotatable bonds, 7 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 12-[2,2-bis[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]butoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 12-[3-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]-2-[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]-2-methylpropoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 159389075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).