ALG

4-carbamimidamidobutanoic acid

Created:1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count21
Chiral Atom Count0
Bond Count20
Aromatic Bond Count0
2D diagram of ALG

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Chemical Component Summary

Name4-carbamimidamidobutanoic acid
Systematic Name (OpenEye OEToolkits)4-carbamimidamidobutanoic acid
FormulaC5 H11 N3 O2
Molecular Weight145.16
TypePEPTIDE-LIKE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CCCNC(=[N@H])N
SMILESCACTVS3.370NC(=N)NCCCC(O)=O
SMILESOpenEye OEToolkits1.7.0C(CC(=O)O)CNC(=N)N
Canonical SMILESCACTVS3.370 NC(=N)NCCCC(O)=O
Canonical SMILESOpenEye OEToolkits1.7.0 [H]/N=C(\N)/NCCCC(=O)O
InChIInChI1.03 InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)
InChIKeyInChI1.03 TUHVEAJXIMEOSA-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 25200642, 500
ChEMBL CHEMBL21157
ChEBI CHEBI:86564, CHEBI:57486, CHEBI:15728