NOK

2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN

Created:	2007-09-19
Last modified:	2011-06-04

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

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	4
Bond Count	30
Aromatic Bond Count	0

2D diagram of NOK

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Chemical Component Summary
Name	2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN
Systematic Name (OpenEye OEToolkits)	N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]ethanamide
Formula	C₈ H₁₆ N₂ O₄
Molecular Weight	204.224
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NC1C(O)C(O)C(NC1)CO)C
SMILES	CACTVS	3.341	CC(=O)N[CH]1CN[CH](CO)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	CC(=O)NC1CNC(C(C1O)O)CO
Canonical SMILES	CACTVS	3.341	CC(=O)N[C@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=O)N[C@H]1CN[C@@H]([C@H]([C@@H]1O)O)CO
InChI	InChI	1.03	InChI=1S/C8H16N2O4/c1-4(12)10-5-2-9-6(3-11)8(14)7(5)13/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8+/m0/s1
InChIKey	InChI	1.03	GBRAQQUMMCVTAV-LXGUWJNJSA-N

Related Resource References

Resource Name	Reference
PubChem	122617
ChEMBL	CHEMBL382689

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