DP1

L-N(OMEGA)-NITROARGININE-2,4-L-DIAMINOBUTYRIC AMIDE

Created: 2003-05-02
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count2
Bond Count43
Aromatic Bond Count0
2D diagram of DP1
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Chemical Component Summary

NameL-N(OMEGA)-NITROARGININE-2,4-L-DIAMINOBUTYRIC AMIDE
Systematic Name (OpenEye OEToolkits)(2S)-2-amino-N-[(2S)-1,4-diamino-1-oxo-butan-2-yl]-5-[(N-nitrocarbamimidoyl)amino]pentanamide
FormulaC10 H22 N8 O4
Molecular Weight318.333
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04[O-][N+](=O)NC(=[N@H])NCCCC(C(=O)NC(C(=O)N)CCN)N
SMILESCACTVS3.341NCC[CH](NC(=O)[CH](N)CCCNC(=N)N[N+]([O-])=O)C(N)=O
SMILESOpenEye OEToolkits1.5.0C(CC(C(=O)NC(CCN)C(=O)N)N)CNC(=N)N[N+](=O)[O-]
Canonical SMILESCACTVS3.341 NCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O)C(N)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C(C[C@@H](C(=O)N[C@@H](CCN)C(=O)N)N)CNC(=N)N[N+](=O)[O-]
InChIInChI1.03 InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
InChIKeyInChI1.03 KUZKVXUOMSVPOA-BQBZGAKWSA-N

Drug Info: DrugBank

DrugBank IDDB01821 
NameL-N(omega)-Nitroarginine-2,4-L-diaminobutyric amide
Groups experimental
SynonymsL-N(omega)-Nitroarginine-2,4-L-diaminobutyric amide

Drug Targets

NameTarget SequencePharmacological ActionActions
Nitric oxide synthase, endothelialMGNLKSVAQEPGPPCGLGLGLGLGLCGKQGPATPAPEPSRAPASLLPPAP...unknown
Nitric oxide synthase, brainMEDHMFGVQQIQPNVISVRLFKRKVGGLGFLVKERVSKPPVIISDLIRGG...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL44833
PubChem 136252265, 656910
ChEMBL CHEMBL44833