ZB6

(2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid

Created:	2013-06-05
Last modified:	2014-05-21

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1 entries where ZB6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	2
Bond Count	32
Aromatic Bond Count	0

2D diagram of ZB6

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Chemical Component Summary
Name	(2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)	(2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid
Formula	C₁₀ H₁₇ N O₃ S
Molecular Weight	231.312
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N1C(C(=O)O)CCCC1C)CCS
SMILES	CACTVS	3.370	C[CH]1CCC[CH](N1C(=O)CCS)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CC1CCCC(N1C(=O)CCS)C(=O)O
Canonical SMILES	CACTVS	3.370	C[C@@H]1CCC[C@@H](N1C(=O)CCS)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[C@@H]1CCC[C@@H](N1C(=O)CCS)C(=O)O
InChI	InChI	1.03	InChI=1S/C10H17NO3S/c1-7-3-2-4-8(10(13)14)11(7)9(12)5-6-15/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-,8-/m1/s1
InChIKey	InChI	1.03	UHIOKYGCFGNNCU-HTQZYQBOSA-N

Related Resource References

Resource Name	Reference
PubChem	762560

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