175

3,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-4-ON

Created:2004-05-23
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count3
Bond Count31
Aromatic Bond Count0
2D diagram of 175

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Chemical Component Summary

Name3,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-4-ON
Systematic Name (OpenEye OEToolkits)2-[2-[(1S)-1-aminoethyl]-4-(aminomethyl)-5-oxo-imidazolidin-1-yl]ethanoic acid
FormulaC8 H16 N4 O3
Molecular Weight216.238
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1N(CC(=O)O)C(NC1CN)C(N)C
SMILESCACTVS3.341C[CH](N)[CH]1N[CH](CN)C(=O)N1CC(O)=O
SMILESOpenEye OEToolkits1.5.0CC(C1NC(C(=O)N1CC(=O)O)CN)N
Canonical SMILESCACTVS3.341 C[C@H](N)[C@H]1N[C@@H](CN)C(=O)N1CC(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C[C@@H](C1NC(C(=O)N1CC(=O)O)CN)N
InChIInChI1.03 InChI=1S/C8H16N4O3/c1-4(10)7-11-5(2-9)8(15)12(7)3-6(13)14/h4-5,7,11H,2-3,9-10H2,1H3,(H,13,14)/t4-,5-,7-/m0/s1
InChIKeyInChI1.03 MOTCYKZNVUEYFO-VPLCAKHXSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB03094 
Name3,5-Dihydro-5-Methylidene-4h-Imidazol-4-On
Groups experimental
Synonyms3,5-Dihydro-5-Methylidene-4h-Imidazol-4-On

Related Resource References

Resource NameReference
PubChem 49866408