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Summary

Name:DEOXYGUANIDINOPROCLAVAMINIC ACID
Formula:C9 H16 N4 O3
Formal charge:0
Molecular weight:228.248 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2S)-5-carbamimidamido-2-(2-oxoazetidin-1-yl)pentanoic acid
OpenEye OEToolkits1.5.0(2S)-5-carbamimidamido-2-(2-oxoazetidin-1-yl)pentanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(N1C(=O)CC1)CCCNC(=[N@H])N
SMILES_CANONICALCACTVS3.341NC(=N)NCCC[C@H](N1CCC1=O)C(O)=O
SMILESCACTVS3.341NC(=N)NCCC[CH](N1CCC1=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N1CCC1=O
SMILESOpenEye OEToolkits1.5.0[H]N=C(N)NCCCC(C(=O)O)N1CCC1=O
InChIInChI1.03InChI=1S/C9H16N4O3/c10-9(11)12-4-1-2-6(8(15)16)13-5-3-7(13)14/h6H,1-5H2,(H,15,16)(H4,10,11,12)/t6-/m0/s1
InChIKeyInChI1.03UYADDEKIZFRINK-LURJTMIESA-N
169963
PDB entries from 2020-10-14