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Chemical structure of NOTA-bis(tBu)ester

GC74682

NOTA-bis(tBu)ester

Also known as 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7-triazonan-1-yl]acetic acid

NOTA-bis(tBu)ester (NOTA-bis(t-Butyl ester)), a NOTA derivative, is a bifunctional chelator that can be used for drug coupling

ChemicalCAS1161415-28-6MW415.52FormulaC20H37N3O6
CAS number
1161415-28-6
Molecular weight
415.52
Formula
C20H37N3O6
InChIKey
UACSRZWSADEYPK-UHFFFAOYSA-N
Catalogue number
GC74682
Brand
GLPBIO
Computed properties PubChem CID 44253556 · XLogP -0.8 · TPSA 99.6 Ų · H-bond donors 1
XLogP
-0.8
TPSA
99.6 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
29

SMILES CC(C)(C)OC(=O)CN1CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)O

Computed descriptors from PubChem (CID 44253556), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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