Gly-PEG3-endo-BCN | 2354291-37-3

Name: Gly-PEG3-endo-BCN
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog Number	Size	Price	Quantity
R16-0003	--	$--

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Product Introduction

Gly-PEG3-endo-BCN is a polyethylene glycol (PEG)-based PROTAC linker. Gly-PEG3-endo-BCN can be used in the synthesis of a series of PROTACs.

Synonyms	Gly-PEG3-endo-BCN, TFA salt
IUPAC Name	[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[3-[2-[2-[3-[(2-aminoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]carbamate
Canonical SMILES	C1CC2C(C2COC(=O)NCCCOCCOCCOCCCNC(=O)CN)CCC#C1
InChI	InChI=1S/C23H39N3O6/c24-17-22(27)25-9-5-11-29-13-15-31-16-14-30-12-6-10-26-23(28)32-18-21-19-7-3-1-2-4-8-20(19)21/h19-21H,3-18,24H2,(H,25,27)(H,26,28)/t19-,20+,21?
InChI Key	MZZHRBCWKALCAE-WCRBZPEASA-N
Solubility	Water, DMSO, DCM, DMF

Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties
XLogP3	1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	18
Exact Mass	453.28388597 g/mol
Monoisotopic Mass	453.28388597 g/mol
Topological Polar Surface Area	121Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	599
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes