CKU

(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid

Created:	2019-05-09
Last modified:	2020-06-10

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1 entries where CKU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	3
Bond Count	31
Aromatic Bond Count	0

2D diagram of CKU

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Chemical Component Summary
Name	(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)	(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid
Formula	C₉ H₁₇ N O₄
Molecular Weight	203.236
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCN1C[CH](O)[CH](O)[CH](C1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CCCN1CC(C(C(C1)O)O)C(=O)O
Canonical SMILES	CACTVS	3.385	CCCN1C[C@@H](O)[C@H](O)[C@H](C1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCN1C[C@@H]([C@H]([C@@H](C1)O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C9H17NO4/c1-2-3-10-4-6(9(13)14)8(12)7(11)5-10/h6-8,11-12H,2-5H2,1H3,(H,13,14)/t6-,7+,8+/m0/s1
InChIKey	InChI	1.03	RNWXBQBXRPVHBZ-XLPZGREQSA-N

Related Resource References

Resource Name	Reference
PubChem	146160382

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