U51

(5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid

Created:2005-11-11
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count4
Bond Count57
Aromatic Bond Count0
2D diagram of U51
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Chemical Component Summary

Name(5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid
Synonyms9,11-AZOPROSTA-5Z,13E-DIEN-1-OIC ACID; U-51605
Systematic Name (OpenEye OEToolkits)7-[(1S,4R,5R,6R)-5-[(E)-oct-1-enyl]-2,3-diazabicyclo[2.2.1]hept-2-en-6-yl]hept-5-enoic acid
FormulaC20 H32 N2 O2
Molecular Weight332.48
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CCC/C=C\CC2C1N=NC(C1)C2/C=C/CCCCCC
SMILESCACTVS3.370CCCCCCC=C[CH]1[CH]2C[CH](N=N2)[CH]1CC=CCCCC(O)=O
SMILESOpenEye OEToolkits1.7.6CCCCCCC=CC1C2CC(C1CC=CCCCC(=O)O)N=N2
Canonical SMILESCACTVS3.370 CCCCCC\C=C\[C@H]1[C@H]2C[C@H](N=N2)[C@@H]1C\C=C/CCCC(O)=O
Canonical SMILESOpenEye OEToolkits1.7.6 CCCCCC/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1CC=CCCCC(=O)O)N=N2
InChIInChI1.03 InChI=1S/C20H32N2O2/c1-2-3-4-5-6-9-12-16-17(19-15-18(16)21-22-19)13-10-7-8-11-14-20(23)24/h7,9-10,12,16-19H,2-6,8,11,13-15H2,1H3,(H,23,24)/b10-7-,12-9+/t16-,17-,18-,19+/m1/s1
InChIKeyInChI1.03 SRIZDZJPKIYUPZ-IDUFWMFESA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB08675 
Name(5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-1-Octen-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}-5-heptenoic acid
Groups experimental
Synonyms(5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-1-Octen-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}-5-heptenoic acid

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Prostacyclin synthaseMAWAALLGLLAALLLLLLLSRRRTRRPGEPPLDLGSIPWLGYALDFGKDA...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
PubChem 94286438