Valomaciclovir
[(3R)-3-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-4-hydroxybutyl] (2S)-2-amino-3-methylbutanoate
Molecular Identity
Valomaciclovir
[(3R)-3-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-4-hydroxybutyl] (2S)-2-amino-3-methylbutanoate
PubChem CID: 135544014
2D Structure
Properties
C15H24N6O4
Molecular Formula
352.39
Molecular Weight
g/mol
352.1859
Exact Mass
Da
-0.9
XLogP
Drug-like (Lipinski: < 5)
158
TPSA
May have limited oral absorption
4
H-Bond Donors
7
H-Bond Acceptors
526
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C(C(=O)OCCC(CN1C=NC2=C1N=C(NC2=O)N)CO)NIsomeric SMILES
SMILES: CC(C)[C@@H](C(=O)OCC[C@H](CN1C=NC2=C1N=C(NC2=O)N)CO)NSynonyms(20)
Valomaciclovir195157-34-7EPB-348MIV606F094Y61748L-Valine, 4-ester with 9-((R)-4-hydroxy-2-(hydroxymethyl)butyl)guanine[(3R)-3-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-4-hydroxybutyl] (2S)-2-amino-3-methylbutanoatevalomaciclovirum((3R)-3-((2-amino-6-oxo-1H-purin-9-yl)methyl)-4-hydroxybutyl) (2S)-2-amino-3-methylbutanoateRefChem:193600((3R)-3-((2-amino-6-oxo-3H-purin-9-yl)methyl)-4-hydroxy-butyl) (2S)-2-amino-3-methyl-butanoateValomaciclovir [INN]H2G prodrugUNII-F094Y61748SCHEMBL417653
Data from PubChem (NCBI)
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