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Chemical structure of dTAGV-1-NEG

GC50755

dTAGV-1-NEG

Also known as [(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[[7-[[(2S)-1-[(2R,4S)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-7-oxoheptyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate

dTAGV-1-NEG is a diastereomer and as a heterobifunctional negative control of dTAGV-1· dTAGV-1 is an FKBP12F36V-selective degrader

ChemicalCAS2451573-87-6MW1247.54FormulaC68H90N6O14S
CAS number
2451573-87-6
Molecular weight
1247.54
Formula
C68H90N6O14S
Solubility
DMSO|124·75|100|
InChIKey
ANLKEOUWAHUESE-SVUPEXKHSA-N
Catalogue number
GC50755
Brand
GLPBIO
Computed properties PubChem CID 154828676 · XLogP 10.1 · TPSA 271 Ų · H-bond donors 4
XLogP
10.1
TPSA
271 Ų
H-bond donors
4
H-bond acceptors
16
Rotatable bonds
32
Heavy atoms
89

SMILES CC[C@@H](C1=CC(=C(C(=C1)OC)OC)OC)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4OCC(=O)NCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](C[C@@H]5C(=O)N[C@@H](C)C6=CC=C(C=C6)C7=C(N=CS7)C)O)C(C)(C)C

Computed descriptors from PubChem (CID 154828676), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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