E8X

(2~{S},3~{S},4~{R},5~{R})-2-hexyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid

Created:2019-11-21
Last modified:  2021-01-27

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Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count4
Bond Count40
Aromatic Bond Count0
2D diagram of E8X

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Chemical Component Summary

Name(2~{S},3~{S},4~{R},5~{R})-2-hexyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)(2~{S},3~{S},4~{R},5~{R})-2-hexyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid
FormulaC12 H23 N O4
Molecular Weight245.315
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CCCCCC[CH]1NC[CH](O)[CH](O)[CH]1C(O)=O
SMILESOpenEye OEToolkits2.0.7CCCCCCC1C(C(C(CN1)O)O)C(=O)O
Canonical SMILESCACTVS3.385 CCCCCC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 CCCCCC[C@H]1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O
InChIInChI1.03 InChI=1S/C12H23NO4/c1-2-3-4-5-6-8-10(12(16)17)11(15)9(14)7-13-8/h8-11,13-15H,2-7H2,1H3,(H,16,17)/t8-,9+,10-,11-/m0/s1
InChIKeyInChI1.03 RRWNAAJMVJWKAM-VLEAKVRGSA-N

Related Resource References

Resource NameReference
PubChem 155387697