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Chemical structure of 2-(Biotin-amido)-1,3-bis-(C1-PEG1-acid)

GC67303

2-(Biotin-amido)-1,3-bis-(C1-PEG1-acid)

Also known as 3-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3-(2-carboxyethoxy)propoxy]propanoic acid

2-(Biotin-amido)-13-bis(carboxylethoxy)propane is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS2086689-02-1MW461.53FormulaC19H31N3O8S
CAS number
2086689-02-1
Molecular weight
461.53
Formula
C19H31N3O8S
InChIKey
NRIDXCVOVMVZJD-DEYYWGMASA-N
Catalogue number
GC67303
Brand
GLPBIO
Computed properties PubChem CID 126480459 · XLogP -1.1 · TPSA 189 Ų · H-bond donors 5
XLogP
-1.1
TPSA
189 Ų
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
16
Heavy atoms
31

SMILES C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NC(COCCC(=O)O)COCCC(=O)O)NC(=O)N2

Computed descriptors from PubChem (CID 126480459), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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