CMA

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Summary

Name:N2-(CARBOXYETHYL)-L-ARGININE
Formula:C9 H18 N4 O4
Formal charge:0
Molecular weight:246.264 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N~2~-(2-carboxyethyl)-L-arginine
OpenEye OEToolkits1.5.0(2S)-5-carbamimidamido-2-(2-carboxyethylamino)pentanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)CCNC(C(=O)O)CCCNC(=[N@H])N
SMILES_CANONICALCACTVS3.341NC(=N)NCCC[C@H](NCCC(O)=O)C(O)=O
SMILESCACTVS3.341NC(=N)NCCC[CH](NCCC(O)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C(C[C@@H](C(=O)O)NCCC(=O)O)CNC(=N)N
SMILESOpenEye OEToolkits1.5.0C(CC(C(=O)O)NCCC(=O)O)CNC(=N)N
InChIInChI1.03InChI=1S/C9H18N4O4/c10-9(11)13-4-1-2-6(8(16)17)12-5-3-7(14)15/h6,12H,1-5H2,(H,14,15)(H,16,17)(H4,10,11,13)/t6-/m0/s1
InChIKeyInChI1.03OHWCFZJEIHZWMN-LURJTMIESA-N
168889
PDB entries from 2020-09-16