ARV

5-N-ALLYL-ARGININE

Created:2001-10-22
Last modified:  2011-06-04

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Chemical Details

Formal Charge1
Atom Count34
Chiral Atom Count1
Bond Count33
Aromatic Bond Count0
2D diagram of ARV

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Chemical Component Summary

Name5-N-ALLYL-ARGININE
Systematic Name (OpenEye OEToolkits)(Z)-[amino-[[(4S)-4-amino-5-hydroxy-5-oxo-pentyl]amino]methylidene]-prop-2-enyl-azanium
FormulaC9 H19 N4 O2
Molecular Weight215.273
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(N)CCCN\C(=[NH+]/C\C=C)N
SMILESCACTVS3.341N[CH](CCCNC(N)=[NH+]CC=C)C(O)=O
SMILESOpenEye OEToolkits1.5.0C=CC[NH+]=C(N)NCCCC(C(=O)O)N
Canonical SMILESCACTVS3.341 N[C@@H](CCCNC(N)=[NH+]CC=C)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C=CC\[NH+]=C(\N)/NCCC[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C9H18N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h2,7H,1,3-6,10H2,(H,14,15)(H3,11,12,13)/p+1/t7-/m0/s1
InChIKeyInChI1.03 ZPQWZDPOLXVMOU-ZETCQYMHSA-O

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB03892 
Name5-N-Allyl-arginine
Groups experimental
Synonyms5-N-Allyl-arginine

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Nitric oxide synthase 1MEDHMFGVQQIQPNVISVRLFKRKVGGLGFLVKERVSKPPVIISDLIRGG...unknowninhibitor
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
PubChem 44269798, 102474029, 137326849, 22524583, 136908160, 5287706