NG,NG-dimethyl-L-arginine   

GtoPdb Ligand ID: 5229

Synonyms: N,N-dimethylarginine | ADMA | asymmetric dimethylarginine
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 7
Topological polar surface area 102.44
Molecular weight 202.14
XLogP -1.9
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C(CCCNC(=N)N(C)C)N
Isomeric SMILES OC(=O)[C@H](CCCNC(=N)N(C)C)N
InChI InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1
InChI Key YDGMGEXADBMOMJ-LURJTMIESA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
(2S)-2-amino-5-(1,1-dimethylcarbamimidamido)pentanoic acid
Synonyms
N,N-dimethylarginine | ADMA | asymmetric dimethylarginine
Database Links
CAS Registry No. 30315-93-6
ChEBI CHEBI:17929
ChEMBL Ligand CHEMBL457530
DrugBank Ligand DB01686
GtoPdb PubChem SID 178101913
PubChem CID 123831
RCSB PDB Ligand DA2
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Wikipedia ADMA