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Bis-Mal-Lysine-PEG4-acid

CAT: 0931-T14623-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T14623-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1426164-52-4
Target
PROTAC Linker
Related Pathways
PROTAC
Purity
0.9808
Bioactivity
Bis-Mal-Lysine-PEG4-acid is a PEG-based PROTAC linker for synthesising PROTACs.
Smiles
C(CC(N[C@@H](CCCCNC(CCN1C(=O)C=CC1=O)=O)C(NCCOCCOCCOCCOCCC(O)=O)=O)=O)N2C(=O)C=CC2=O
Molecular Formula
C31H45N5O13
Molecular Weight
695.71
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bis-Mal-Lysine-PEG4-acid
CAS Number1426164-52-4
PubChem CID91757812
IUPAC Name3-[2-[2-[2-[2-[2,6-bis[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC31H45N5O13
Molecular Weight695.7
XLogP-3.4
Topological Polar Surface Area236
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count28
Heavy Atom Count49
Formal Charge0
Complexity1190
SMILES
C1=CC(=O)N(C1=O)CCC(=O)NCCCCC(C(=O)NCCOCCOCCOCCOCCC(=O)O)NC(=O)CCN2C(=O)C=CC2=O
InChI
InChI=1S/C31H45N5O13/c37-24(8-13-35-26(39)4-5-27(35)40)32-11-2-1-3-23(34-25(38)9-14-36-28(41)6-7-29(36)42)31(45)33-12-16-47-18-20-49-22-21-48-19-17-46-15-10-30(43)44/h4-7,23H,1-3,8-22H2,(H,32,37)(H,33,45)(H,34,38)(H,43,44)
InChIKey
RZAXBVRZUKAYCY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis-Mal-Lysine-PEG4-acid
CAS: 1426164-52-4
CID: 91757812
Formula: C31H45N5O13
MW: 695.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight695.7
XLogP3-3.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count28
Exact Mass695.30138651
Monoisotopic Mass695.30138651
Topological Polar Surface Area236 Ų
Heavy Atom Count49
Formal Charge0
Complexity1190
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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