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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2 entries where E8X is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	4
Bond Count	40
Aromatic Bond Count	0

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
Formula	C₁₂ H₂₃ N O₄
Molecular Weight	245.315
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCCCC[CH]1NC[CH](O)[CH](O)[CH]1C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CCCCCCC1C(C(C(CN1)O)O)C(=O)O
Canonical SMILES	CACTVS	3.385	CCCCCC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCCCC[C@H]1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O
InChI	InChI	1.03	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
InChIKey	InChI	1.03	RRWNAAJMVJWKAM-VLEAKVRGSA-N

Related Resource References

Resource Name	Reference
PubChem	155387697

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