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U6A

Summary
Name:N-carboxy-L-threonine
Formula:C5 H9 N O5
Formal charge:0
Formula weight:163.129 Da
Component type:L-peptide NH3 amino terminus

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-carboxy-L-threonine
OpenEye OEToolkits2.0.7(2~{S},3~{R})-2-(carboxyamino)-3-oxidanyl-butanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(NC(C(C)O)C(=O)O)(O)=O
InChIInChI1.03InChI=1S/C5H9NO5/c1-2(7)3(4(8)9)6-5(10)11/h2-3,6-7H,1H3,(H,8,9)(H,10,11)/t2-,3+/m1/s1
InChIKeyInChI1.03OJLPTWSLDBSLEH-GBXIJSLDSA-N
SMILES_CANONICALCACTVS3.385C[C@@H](O)[C@H](NC(O)=O)C(O)=O
SMILESCACTVS3.385C[CH](O)[CH](NC(O)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@H]([C@@H](C(=O)O)NC(=O)O)O
SMILESOpenEye OEToolkits2.0.7CC(C(C(=O)O)NC(=O)O)O

223532

PDB entries from 2024-08-07

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