P4B

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Summary

Name:(2~{R})-4-azanyl-2-[[(1~{S})-1-oxidanylethyl]amino]butanoic acid
Formula:C6 H14 N2 O3
Formal charge:0
Molecular weight:162.187 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{R})-4-azanyl-2-[[(1~{S})-1-oxidanylethyl]amino]butanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C6H14N2O3/c1-4(9)8-5(2-3-7)6(10)11/h4-5,8-9H,2-3,7H2,1H3,(H,10,11)/t4-,5+/m0/s1
InChIKeyInChI1.03WSKLDXXLKTXXMW-CRCLSJGQSA-N
SMILES_CANONICALCACTVS3.385C[C@H](O)N[C@H](CCN)C(O)=O
SMILESCACTVS3.385C[CH](O)N[CH](CCN)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@@H](N[C@H](CCN)C(=O)O)O
SMILESOpenEye OEToolkits2.0.7CC(NC(CCN)C(=O)O)O