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DBCO-PEG5-GGG-NH2

CAT: 0013-GTR19277029-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277029-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DBCO-PEG5-GGG-NH2 is a type of PROTAC linker employed in the synthesis of PROTAC molecules.
CAS Number
2762519-06-0
Smiles
O=C (NCC (=O) NCC (=O) NCCOCCOCCOCCOCCOCCNC (=O) CCC (=O) N1C=2C=CC=CC2C#CC=3C=CC=CC3C1) CN
Molecular Formula
C37H50N6O10
Molecular Weight
738.84
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dbco-peg5-ggg-NH2
CAS Number2762519-06-0
PubChem CID170087375
IUPAC NameN-[2-[2-[2-[2-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanamide
Molecular FormulaC37H50N6O10
Molecular Weight738.8
XLogP-1.6
Topological Polar Surface Area209
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count26
Heavy Atom Count53
Formal Charge0
Complexity1190
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CNC(=O)CNC(=O)CN
InChI
InChI=1S/C37H50N6O10/c38-25-34(45)41-27-36(47)42-26-35(46)40-14-16-50-18-20-52-22-24-53-23-21-51-19-17-49-15-13-39-33(44)11-12-37(48)43-28-31-7-2-1-5-29(31)9-10-30-6-3-4-8-32(30)43/h1-8H,11-28,38H2,(H,39,44)(H,40,46)(H,41,45)(H,42,47)
InChIKey
QZBCQAXYELLQEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dbco-peg5-ggg-NH2
CAS: 2762519-06-0
CID: 170087375
Formula: C37H50N6O10
MW: 738.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight738.8
XLogP3-1.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count26
Exact Mass738.35884181
Monoisotopic Mass738.35884181
Topological Polar Surface Area209 Ų
Heavy Atom Count53
Formal Charge0
Complexity1190
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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