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Chemical structure of Valnemulin

GC45136

Valnemulin

Also known as [(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[1-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropan-2-yl]sulfanylacetate

Valnemulin is a broad-spectrum pleuromutilin antibiotic that binds to peptidyl transferase in the 50S ribosomal subunit

ChemicalCAS101312-92-9MW564.8FormulaC31H52N2O5S
CAS number
101312-92-9
Molecular weight
564.8
Formula
C31H52N2O5S
Solubility
DMF： Soluble,DMSO： Soluble,Ethanol： Soluble,Methanol： Soluble
InChIKey
LLYYNOVSVPBRGV-MVNKZKPCSA-N
Catalogue number
GC45136
Brand
GLPBIO
Computed properties PubChem CID 9850878 · XLogP 5.3 · TPSA 144 Ų · H-bond donors 3
XLogP
5.3
TPSA
144 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
39

SMILES C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC(C)(C)CNC(=O)[C@@H](C(C)C)N)C

Computed descriptors from PubChem (CID 9850878), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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