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Chemical structure of (3S,5S,6R)-Navtemadlin

GC72936

(3S,5S,6R)-Navtemadlin

Also known as 2-[(3S,5S,6R)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(2S)-3-methyl-1-propan-2-ylsulfonylbutan-2-yl]-2-oxopiperidin-3-yl]acetic acid

(3S,5S,6R)-Navtemadlin is the isomer of Navtemadlin , and can be used as an experimental control

ChemicalCAS2459946-14-4MW568.55FormulaC28H35Cl2NO5S
CAS number
2459946-14-4
Molecular weight
568.55
Formula
C28H35Cl2NO5S
Solubility
DMSO ： ≥ 100 mg/mL (175·89 mM)
InChIKey
DRLCSJFKKILATL-CBZDIVBHSA-N
Catalogue number
GC72936
Brand
GLPBIO
Computed properties PubChem CID 145864877 · XLogP 5.8 · TPSA 100 Ų · H-bond donors 1
XLogP
5.8
TPSA
100 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
37

SMILES CC(C)[C@@H](CS(=O)(=O)C(C)C)N1[C@H]([C@@H](C[C@@](C1=O)(C)CC(=O)O)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)Cl

Computed descriptors from PubChem (CID 145864877), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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