JX7

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Summary

Name:5-carbamimidamido-2-oxopentanoic acid
Formula:C6 H11 N3 O3
Formal charge:0
Molecular weight:173.17 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-carbamimidamido-2-oxopentanoic acid
OpenEye OEToolkits2.0.65-carbamimidamido-2-oxidanylidene-pentanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(CCCNC(=N)\N)C(O)=O
InChIInChI1.03InChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9)
InChIKeyInChI1.03ARBHXJXXVVHMET-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=N)NCCCC(=O)C(O)=O
SMILESCACTVS3.385NC(=N)NCCCC(=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6[H]/N=C(/N)\NCCCC(=O)C(=O)O
SMILESOpenEye OEToolkits2.0.6C(CC(=O)C(=O)O)CNC(=N)N