Nω-hydroxyarginine   

GtoPdb Ligand ID: 5227

2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 5
Rotatable bonds 6
Topological polar surface area 133.96
Molecular weight 190.11
XLogP -3.45
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES ONC(=NCCCC(C(=O)O)N)N
Isomeric SMILES ONC(=NCCCC(C(=O)O)N)N
InChI InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)
InChI Key FQWRAVYMZULPNK-UHFFFAOYSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
2-amino-5-{[amino(hydroxyamino)methylidene]amino}pentanoic acid
Database Links
ChEBI CHEBI:47823
ChEMBL Ligand CHEMBL323186
GtoPdb PubChem SID 178101911
PubChem CID 440849
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