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CR5

Summary
Name:(2R)-2-(AMINOMETHYL)-2,4-DIHYDROXY-5-OXO-3-(2-OXOETHYL)-2,5-DIHYDRO-1H-IMIDAZOL-3-IUM
Formula:C6 H10 N3 O5
Formal charge:1
Formula weight:204.161 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R)-2-(aminomethyl)-3-(carboxymethyl)-2,4-dihydroxy-5-oxo-2,5-dihydro-1H-imidazol-3-ium
OpenEye OEToolkits1.5.02-[(2R)-2-(aminomethyl)-2,5-dihydroxy-4-oxo-3H-imidazol-1-ium-1-yl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1C(O)=[N+](CC(=O)O)C(O)(N1)CN
SMILES_CANONICALCACTVS3.341NC[C@@]1(O)NC(=O)C(=[N+]1CC(O)=O)O
SMILESCACTVS3.341NC[C]1(O)NC(=O)C(=[N+]1CC(O)=O)O
SMILES_CANONICALOpenEye OEToolkits1.5.0C(C(=O)O)[N+]1=C(C(=O)N[C@@]1(CN)O)O
SMILESOpenEye OEToolkits1.5.0C(C(=O)O)[N+]1=C(C(=O)NC1(CN)O)O
InChIInChI1.03InChI=1S/C6H9N3O5/c7-2-6(14)8-4(12)5(13)9(6)1-3(10)11/h14H,1-2,7H2,(H2,8,10,11,12)/p+1/t6-/m1/s1
InChIKeyInChI1.03IMYOMVNQPPPJHU-ZCFIWIBFSA-O

225158

PDB entries from 2024-09-18

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