3FX

(2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid

Created:	2011-06-17
Last modified:	2011-06-17

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15 entries where 3FX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	1
Bond Count	34
Aromatic Bond Count	0

2D diagram of 3FX

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Chemical Component Summary
Name	(2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid
Systematic Name (OpenEye OEToolkits)	(2R)-3-(cyclohexylamino)-2-oxidanyl-propane-1-sulfonic acid
Formula	C₉ H₁₉ N O₄ S
Molecular Weight	237.316
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(O)CC(O)CNC1CCCCC1
SMILES	CACTVS	3.370	O[CH](CNC1CCCCC1)C[S](O)(=O)=O
SMILES	OpenEye OEToolkits	1.7.2	C1CCC(CC1)NCC(CS(=O)(=O)O)O
Canonical SMILES	CACTVS	3.370	O[C@H](CNC1CCCCC1)C[S](O)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.2	C1CCC(CC1)NC[C@H](CS(=O)(=O)O)O
InChI	InChI	1.03	InChI=1S/C9H19NO4S/c11-9(7-15(12,13)14)6-10-8-4-2-1-3-5-8/h8-11H,1-7H2,(H,12,13,14)/t9-/m1/s1
InChIKey	InChI	1.03	INEWUCPYEUEQTN-SECBINFHSA-N

Related Resource References

Resource Name	Reference
PubChem	7004984, 7004983

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