H62

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Summary

Name:(1~{R},2~{R},3~{R},4~{S},6~{S})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-carboxylic acid
Formula:C7 H13 N O5
Formal charge:0
Molecular weight:191.182 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6(1~{R},2~{R},3~{R},4~{S},6~{S})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C7H13NO5/c8-2-1-3(9)5(10)6(11)4(2)7(12)13/h2-6,9-11H,1,8H2,(H,12,13)/t2-,3-,4+,5+,6+/m0/s1
InChIKeyInChI1.03DNFVBIRHFDBCAW-HGVZOGFYSA-N
SMILES_CANONICALCACTVS3.385N[C@H]1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1C(O)=O
SMILESCACTVS3.385N[CH]1C[CH](O)[CH](O)[CH](O)[CH]1C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6C1[C@@H]([C@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O)N
SMILESOpenEye OEToolkits2.0.6C1C(C(C(C(C1O)O)O)C(=O)O)N
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