(2,5-dioxopyrrolidin-1-yl) 21-[2,2-bis[[3-[[17-(2,5-dioxopyrrolidin-1-yl)oxy-8,17-dioxoheptadecyl]amino]-3-oxopropoxy]methyl]-3-[21-(2,5-dioxopyrrolidin-1-yl)oxy-3,12,21-trioxohenicosoxy]propoxy]-10,19-dioxohenicosanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate

C207H337N15O68 — CID 157265234

IUPAC(2,5-dioxopyrrolidin-1-yl) 21-[2,2-bis[[3-[[17-(2,5-dioxopyrrolidin-1-yl)oxy-8,17-dioxoheptadecyl]amino]-3-oxopropoxy]methyl]-3-[21-(2,5-dioxopyrrolidin-1-yl)oxy-3,12,21-trioxohenicosoxy]propoxy]-10,19-dioxohenicosanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate
SMILESO=C(CCCCCCCCC(=O)CCOCC(COCCC(=O)CCCCCCCCC(=O)CCCCCCCCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)NCCCCCCCC(=O)CCCCCCCCC(=O)ON1C(=O)CCC1=O)COCCC(=O)NCCCCCCCC(=O)CCCCCCCCC(=O)ON1C(=O)CCC1=O)CCCCCCCCC(=O)ON1C(=O)CCC1=O.O=C(CCCCCCCNC(=O)CCOCC(COCCC(=O)CCCCCCCCC(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)NCCCCCCCC(=O)CCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)COCCC(=O)NCCCCCCCC(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)CCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C104H171N9O40.C103H166N6O28/c114-84(27-22-52-134-64-72-142-74-66-136-58-43-100(130)150-110-92(122)31-32-93(110)123)24-14-7-3-11-19-47-105-89(119)40-55-147-81-104(80-146-54-39-86(116)26-16-6-1-2-9-17-29-87(117)108-50-62-140-70-78-144-76-68-138-60-45-102(132)152-112-96(126)35-36-97(112)127,82-148-56-41-90(120)106-48-20-12-4-8-15-25-85(115)28-23-53-135-65-73-143-75-67-137-59-44-101(131)151-111-94(124)33-34-95(111)125)83-149-57-42-91(121)107-49-21-13-5-10-18-30-88(118)109-51-63-141-71-79-145-77-69-139-61-46-103(133)153-113-98(128)37-38-99(113)129;110-83(49-33-17-5-9-25-41-57-99(126)134-106-91(118)61-62-92(106)119)47-31-15-1-3-21-39-55-87(114)69-75-130-79-103(80-131-76-70-88(115)56-40-22-4-2-16-32-48-84(111)50-34-18-6-10-26-42-58-100(127)135-107-93(120)63-64-94(107)121,81-132-77-71-89(116)104-73-45-29-13-23-37-53-85(112)51-35-19-7-11-27-43-59-101(128)136-108-95(122)65-66-96(108)123)82-133-78-72-90(117)105-74-46-30-14-24-38-54-86(113)52-36-20-8-12-28-44-60-102(129)137-109-97(124)67-68-98(109)125/h1-83H2,(H,105,119)(H,106,120)(H,107,121)(H,108,117)(H,109,118);1-82H2,(H,104,116)(H,105,117)
InChIKeyAXXNHDZTRPNTNS-UHFFFAOYSA-N
MW4124.01 g/mol
LogP22.86
Rot. Bonds201

About (2,5-dioxopyrrolidin-1-yl) 21-[2,2-bis[[3-[[17-(2,5-dioxopyrrolidin-1-yl)oxy-8,17-dioxoheptadecyl]amino]-3-oxopropoxy]methyl]-3-[21-(2,5-dioxopyrrolidin-1-yl)oxy-3,12,21-trioxohenicosoxy]propoxy]-10,19-dioxohenicosanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate

(2,5-dioxopyrrolidin-1-yl) 21-[2,2-bis[[3-[[17-(2,5-dioxopyrrolidin-1-yl)oxy-8,17-dioxoheptadecyl]amino]-3-oxopropoxy]methyl]-3-[21-(2,5-dioxopyrrolidin-1-yl)oxy-3,12,21-trioxohenicosoxy]propoxy]-10,19-dioxohenicosanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate (PubChem CID 157265234) has the molecular formula C207H337N15O68 and a molecular weight of 4124.01 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 21-[2,2-bis[[3-[[17-(2,5-dioxopyrrolidin-1-yl)oxy-8,17-dioxoheptadecyl]amino]-3-oxopropoxy]methyl]-3-[21-(2,5-dioxopyrrolidin-1-yl)oxy-3,12,21-trioxohenicosoxy]propoxy]-10,19-dioxohenicosanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 21-[2,2-bis[[3-[[17-(2,5-dioxopyrrolidin-1-yl)oxy-8,17-dioxoheptadecyl]amino]-3-oxopropoxy]methyl]-3-[21-(2,5-dioxopyrrolidin-1-yl)oxy-3,12,21-trioxohenicosoxy]propoxy]-10,19-dioxohenicosanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate
PubChem CID157265234
Molecular FormulaC207H337N15O68
Molecular Weight4124.01 g/mol
Exact Mass4121.34
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 21-[2,2-bis[[3-[[17-(2,5-dioxopyrrolidin-1-yl)oxy-8,17-dioxoheptadecyl]amino]-3-oxopropoxy]methyl]-3-[21-(2,5-dioxopyrrolidin-1-yl)oxy-3,12,21-trioxohenicosoxy]propoxy]-10,19-dioxohenicosanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate
SMILESO=C(CCCCCCCCC(=O)CCOCC(COCCC(=O)CCCCCCCCC(=O)CCCCCCCCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)NCCCCCCCC(=O)CCCCCCCCC(=O)ON1C(=O)CCC1=O)COCCC(=O)NCCCCCCCC(=O)CCCCCCCCC(=O)ON1C(=O)CCC1=O)CCCCCCCCC(=O)ON1C(=O)CCC1=O.O=C(CCCCCCCNC(=O)CCOCC(COCCC(=O)CCCCCCCCC(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)NCCCCCCCC(=O)CCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)COCCC(=O)NCCCCCCCC(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)CCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C104H171N9O40.C103H166N6O28/c114-84(27-22-52-134-64-72-142-74-66-136-58-43-100(130)150-110-92(122)31-32-93(110)123)24-14-7-3-11-19-47-105-89(119)40-55-147-81-104(80-146-54-39-86(116)26-16-6-1-2-9-17-29-87(117)108-50-62-140-70-78-144-76-68-138-60-45-102(132)152-112-96(126)35-36-97(112)127,82-148-56-41-90(120)106-48-20-12-4-8-15-25-85(115)28-23-53-135-65-73-143-75-67-137-59-44-101(131)151-111-94(124)33-34-95(111)125)83-149-57-42-91(121)107-49-21-13-5-10-18-30-88(118)109-51-63-141-71-79-145-77-69-139-61-46-103(133)153-113-98(128)37-38-99(113)129;110-83(49-33-17-5-9-25-41-57-99(126)134-106-91(118)61-62-92(106)119)47-31-15-1-3-21-39-55-87(114)69-75-130-79-103(80-131-76-70-88(115)56-40-22-4-2-16-32-48-84(111)50-34-18-6-10-26-42-58-100(127)135-107-93(120)63-64-94(107)121,81-132-77-71-89(116)104-73-45-29-13-23-37-53-85(112)51-35-19-7-11-27-43-59-101(128)136-108-95(122)65-66-96(108)123)82-133-78-72-90(117)105-74-46-30-14-24-38-54-86(113)52-36-20-8-12-28-44-60-102(129)137-109-97(124)67-68-98(109)125/h1-83H2,(H,105,119)(H,106,120)(H,107,121)(H,108,117)(H,109,118);1-82H2,(H,104,116)(H,105,117)
InChIKeyAXXNHDZTRPNTNS-UHFFFAOYSA-N
XLogP22.86
TPSA1051.37 Ų
H-Bond Donors7
H-Bond Acceptors68
Rotatable Bonds201
Heavy Atoms290
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004124.01
LogP ≤ 522.86
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1068

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 21-[2,2-bis[[3-[[17-(2,5-dioxopyrrolidin-1-yl)oxy-8,17-dioxoheptadecyl]amino]-3-oxopropoxy]methyl]-3-[21-(2,5-dioxopyrrolidin-1-yl)oxy-3,12,21-trioxohenicosoxy]propoxy]-10,19-dioxohenicosanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 21-[2,2-bis[[3-[[17-(2,5-dioxopyrrolidin-1-yl)oxy-8,17-dioxoheptadecyl]amino]-3-oxopropoxy]methyl]-3-[21-(2,5-dioxopyrrolidin-1-yl)oxy-3,12,21-trioxohenicosoxy]propoxy]-10,19-dioxohenicosanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 21-[2,2-bis[[3-[[17-(2,5-dioxopyrrolidin-1-yl)oxy-8,17-dioxoheptadecyl]amino]-3-oxopropoxy]methyl]-3-[21-(2,5-dioxopyrrolidin-1-yl)oxy-3,12,21-trioxohenicosoxy]propoxy]-10,19-dioxohenicosanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate (CID 157265234) is (2,5-dioxopyrrolidin-1-yl) 21-[2,2-bis[[3-[[17-(2,5-dioxopyrrolidin-1-yl)oxy-8,17-dioxoheptadecyl]amino]-3-oxopropoxy]methyl]-3-[21-(2,5-dioxopyrrolidin-1-yl)oxy-3,12,21-trioxohenicosoxy]propoxy]-10,19-dioxohenicosanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 21-[2,2-bis[[3-[[17-(2,5-dioxopyrrolidin-1-yl)oxy-8,17-dioxoheptadecyl]amino]-3-oxopropoxy]methyl]-3-[21-(2,5-dioxopyrrolidin-1-yl)oxy-3,12,21-trioxohenicosoxy]propoxy]-10,19-dioxohenicosanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 21-[2,2-bis[[3-[[17-(2,5-dioxopyrrolidin-1-yl)oxy-8,17-dioxoheptadecyl]amino]-3-oxopropoxy]methyl]-3-[21-(2,5-dioxopyrrolidin-1-yl)oxy-3,12,21-trioxohenicosoxy]propoxy]-10,19-dioxohenicosanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate is O=C(CCCCCCCCC(=O)CCOCC(COCCC(=O)CCCCCCCCC(=O)CCCCCCCCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)NCCCCCCCC(=O)CCCCCCCCC(=O)ON1C(=O)CCC1=O)COCCC(=O)NCCCCCCCC(=O)CCCCCCCCC(=O)ON1C(=O)CCC1=O)CCCCCCCCC(=O)ON1C(=O)CCC1=O.O=C(CCCCCCCNC(=O)CCOCC(COCCC(=O)CCCCCCCCC(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)NCCCCCCCC(=O)CCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)COCCC(=O)NCCCCCCCC(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)CCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 21-[2,2-bis[[3-[[17-(2,5-dioxopyrrolidin-1-yl)oxy-8,17-dioxoheptadecyl]amino]-3-oxopropoxy]methyl]-3-[21-(2,5-dioxopyrrolidin-1-yl)oxy-3,12,21-trioxohenicosoxy]propoxy]-10,19-dioxohenicosanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate?
The InChIKey is AXXNHDZTRPNTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H171N9O40.C103H166N6O28/c114-84(27-22-52-134-64-72-142-74-66-136-58-43-100(130)150-110-92(122)31-32-93(110)123)24-14-7-3-11-19-47-105-89(119)40-55-147-81-104(80-146-54-39-86(116)26-16-6-1-2-9-17-29-87(117)108-50-62-140-70-78-144-76-68-138-60-45-102(132)152-112-96(126)35-36-97(112)127,82-148-56-41-90(120)106-48-20-12-4-8-15-25-85(115)28-23-53-135-65-73-143-75-67-137-59-44-101(131)151-111-94(124)33-34-95(111)125)83-149-57-42-91(121)107-49-21-13-5-10-18-30-88(118)109-51-63-141-71-79-145-77-69-139-61-46-103(133)153-113-98(128)37-38-99(113)129;110-83(49-33-17-5-9-25-41-57-99(126)134-106-91(118)61-62-92(106)119)47-31-15-1-3-21-39-55-87(114)69-75-130-79-103(80-131-76-70-88(115)56-40-22-4-2-16-32-48-84(111)50-34-18-6-10-26-42-58-100(127)135-107-93(120)63-64-94(107)121,81-132-77-71-89(116)104-73-45-29-13-23-37-53-85(112)51-35-19-7-11-27-43-59-101(128)136-108-95(122)65-66-96(108)123)82-133-78-72-90(117)105-74-46-30-14-24-38-54-86(113)52-36-20-8-12-28-44-60-102(129)137-109-97(124)67-68-98(109)125/h1-83H2,(H,105,119)(H,106,120)(H,107,121)(H,108,117)(H,109,118);1-82H2,(H,104,116)(H,105,117).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 21-[2,2-bis[[3-[[17-(2,5-dioxopyrrolidin-1-yl)oxy-8,17-dioxoheptadecyl]amino]-3-oxopropoxy]methyl]-3-[21-(2,5-dioxopyrrolidin-1-yl)oxy-3,12,21-trioxohenicosoxy]propoxy]-10,19-dioxohenicosanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate?
(2,5-dioxopyrrolidin-1-yl) 21-[2,2-bis[[3-[[17-(2,5-dioxopyrrolidin-1-yl)oxy-8,17-dioxoheptadecyl]amino]-3-oxopropoxy]methyl]-3-[21-(2,5-dioxopyrrolidin-1-yl)oxy-3,12,21-trioxohenicosoxy]propoxy]-10,19-dioxohenicosanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate has a molecular weight of 4124.01 g/mol, XLogP of 22.86, 201 rotatable bonds, 7 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 21-[2,2-bis[[3-[[17-(2,5-dioxopyrrolidin-1-yl)oxy-8,17-dioxoheptadecyl]amino]-3-oxopropoxy]methyl]-3-[21-(2,5-dioxopyrrolidin-1-yl)oxy-3,12,21-trioxohenicosoxy]propoxy]-10,19-dioxohenicosanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[11-[3-[2-[[12-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3,12-dioxododecoxy]methyl]-2-[[3-[[8-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-3-[3-[[11-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 157265234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).