IFL

(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-2-ONE

Created:	2004-03-03
Last modified:	2020-06-05

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4 entries where IFL is found as a standalone ligand1 entries where IFL is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	3
Bond Count	22
Aromatic Bond Count	0

2D diagram of IFL

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Chemical Component Summary
Name	(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-2-ONE
Synonyms	ISOFAGOMINE LACTAM
Systematic Name (OpenEye OEToolkits)	(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-one
Formula	C₆ H₁₁ N O₄
Molecular Weight	161.156
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1NCC(CO)C(O)C1O
SMILES	CACTVS	3.341	OC[CH]1CNC(=O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	C1C(C(C(C(=O)N1)O)O)CO
Canonical SMILES	CACTVS	3.341	OC[C@H]1CNC(=O)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1[C@@H]([C@H]([C@@H](C(=O)N1)O)O)CO
InChI	InChI	1.03	InChI=1S/C6H11NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-5,8-10H,1-2H2,(H,7,11)/t3-,4-,5+/m1/s1
InChIKey	InChI	1.03	ARBXEMIAJIJEQI-WDCZJNDASA-N

Related Resource References

Resource Name	Reference
PubChem	448980
ChEMBL	CHEMBL1213445

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