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Chemical structure of Valnemulin HCl

GC15991

Valnemulin HCl

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;hydrochloride

Valnemulin HCl is a pleuromutilin antibiotic which inhibits protein synthesis in bacteria by binding the peptidyl transferase enzyme in the 50s ribosomal subunit

ChemicalCAS133868-46-9MW601.28FormulaC31H52N2O5S·HCl
CAS number
133868-46-9
Molecular weight
601.28
Formula
C31H52N2O5S·HCl
Solubility
≥ 25·65mg/mL in DMSO
InChIKey
MFBPRQKHDIVLOJ-AFFLPQGKSA-N
Catalogue number
GC15991
Brand
GLPBIO
Computed properties PubChem CID 60195218 · TPSA 144 Ų · H-bond donors 4 · H-bond acceptors 7
TPSA
144 Ų
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
40

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.Cl

Computed descriptors from PubChem (CID 60195218), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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