ZIA

[(2R)-5-oxopyrrolidin-2-yl]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside

Created:	2023-03-13
Last modified:	2023-05-24

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2 entries where ZIA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	6
Bond Count	45
Aromatic Bond Count	0

2D diagram of ZIA

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Chemical Component Summary
Name	[(2R)-5-oxopyrrolidin-2-yl]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
Systematic Name (OpenEye OEToolkits)	~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-[[(2~{R})-5-oxidanylidenepyrrolidin-2-yl]methoxy]oxan-3-yl]ethanamide
Formula	C₁₃ H₂₂ N₂ O₇
Molecular Weight	318.323
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(=O)NC1C(O)C(O)C(CO)OC1OCC1CCC(=O)N1
SMILES	CACTVS	3.385	CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OC[CH]2CCC(=O)N2
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)NC1C(C(C(OC1OCC2CCC(=O)N2)CO)O)O
Canonical SMILES	CACTVS	3.385	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC[C@H]2CCC(=O)N2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@H]2CCC(=O)N2)CO)O)O
InChI	InChI	1.06	InChI=1S/C13H22N2O7/c1-6(17)14-10-12(20)11(19)8(4-16)22-13(10)21-5-7-2-3-9(18)15-7/h7-8,10-13,16,19-20H,2-5H2,1H3,(H,14,17)(H,15,18)/t7-,8-,10-,11-,12-,13-/m1/s1
InChIKey	InChI	1.06	KCXADKXCRNBSFF-IOJHDDLYSA-N

Related Resource References

Resource Name	Reference
PubChem	165884817

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