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Chemical structure of PC Biotin-PEG3-NHS ester

GC67655

PC Biotin-PEG3-NHS ester

Also known as 1-[4-[4-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutoxy]-5-methoxy-2-nitrophenyl]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate

PC Biotin-PEG3-NHS ester is a cleavable 3 unit PEG ADC linker used in the synthesis of antibody-drug conjugates (ADCs)

ChemicalCAS2353409-93-3MW840.89FormulaC36H52N6O15S
CAS number
2353409-93-3
Molecular weight
840.89
Formula
C36H52N6O15S
InChIKey
WXAMRLAFOFNACR-VTJXTUSFSA-N
Catalogue number
GC67655
Brand
GLPBIO
Computed properties PubChem CID 134827733 · XLogP 0.3 · TPSA 290 Ų · H-bond donors 4
XLogP
0.3
TPSA
290 Ų
H-bond donors
4
H-bond acceptors
16
Rotatable bonds
28
Heavy atoms
58

SMILES CC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)OC)OC(=O)ON4C(=O)CCC4=O

Computed descriptors from PubChem (CID 134827733), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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