Nωpropyl-L-arginine   

GtoPdb Ligand ID: 6525

Compound class: Synthetic organic
Comment: Nωpropyl-L-arginine is a selective inhibitor of neural nitric oxide synthase (nNOS). It is a synthetic Nω-substituted-L-arginine analogue.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 5
Rotatable bonds 9
Topological polar surface area 111.23
Molecular weight 216.16
XLogP -1.68
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCNC(=N)NCCCC(C(=O)O)N
Isomeric SMILES CCCNC(=N)NCCC[C@@H](C(=O)O)N
InChI InChI=1S/C9H20N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/m0/s1
InChI Key AOMXURITGZJPKB-ZETCQYMHSA-N
References
1. Zhang HQ, Fast W, Marletta MA, Martasek P, Silverman RB. (1997)
Potent and selective inhibition of neuronal nitric oxide synthase by N omega-propyl-L-arginine.
J. Med. Chem., 40 (24): 3869-70. [PMID:9397167]