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NH2-PEG5-C2-NH-Boc

CAT: 0931-T16661-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T16661-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
189209-27-6
Target
PROTAC Linker, Others
Related Pathways
PROTAC, Others
Bioactivity
NH2-PEG5-C2-NH-Boc (PROTAC Linker 17) is a PEG-based compound used as a linker in the synthesis of PROTACs[1].
Smiles
C(COCCOCCOCCOCCOCCN)NC(OC(C)(C)C)=O
Molecular Formula
C17H36N2O7
Molecular Weight
380.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

tert-Butyl (17-amino-3,6,9,12,15-pentaoxaheptadecan-1-yl)carbamate
CAS Number189209-27-6
PubChem CID60146195
IUPAC Nametert-butyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular FormulaC17H36N2O7
Molecular Weight380.5
XLogP-0.7
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Heavy Atom Count26
Formal Charge0
Complexity325
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCN
InChI
InChI=1S/C17H36N2O7/c1-17(2,3)26-16(20)19-5-7-22-9-11-24-13-15-25-14-12-23-10-8-21-6-4-18/h4-15,18H2,1-3H3,(H,19,20)
InChIKey
ASGHPQVHGBCLDZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tert-Butyl (17-amino-3,6,9,12,15-pentaoxaheptadecan-1-yl)carbamate
CAS: 189209-27-6
CID: 60146195
Formula: C17H36N2O7
MW: 380.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.5
XLogP3-0.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Exact Mass380.25225149
Monoisotopic Mass380.25225149
Topological Polar Surface Area111 Ų
Heavy Atom Count26
Formal Charge0
Complexity325
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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HY-W022240-01NH2-PEG5-C2-NH-Boc
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