alpha-methyltyrosine   

GtoPdb Ligand ID: 6956

Synonyms: Demser® | metyrosine | MK-781
alpha-methyltyrosine is an approved drug (FDA (1979))
Compound class: Synthetic organic
Comment: The US FDA approved name for this compound is metyrosine, an inhibitor of tyrosine 3-hydroxylase enzymatic activity.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 83.55
Molecular weight 195.09
XLogP -1.68
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Oc1ccc(cc1)CC(C(=O)O)(N)C
Isomeric SMILES Oc1ccc(cc1)C[C@@](C(=O)O)(N)C
InChI InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m0/s1
InChI Key NHTGHBARYWONDQ-JTQLQIEISA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1979))
IUPAC Name
(2S)-2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid
International Nonproprietary Names
INN number INN
4292 racemetirosine
Synonyms
Demser® | metyrosine | MK-781
Database Links
CAS Registry No. 672-87-7
ChEBI CHEBI:6912
ChEMBL Ligand CHEMBL1200862
DrugBank Ligand DB00765
DrugCentral Ligand 1792
GtoPdb PubChem SID 178103538
PubChem CID 441350
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Wikipedia Metirosine