6ZC

4-nitrophenyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside

Created:	2016-07-29
Last modified:	2020-07-17

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1 entries where 6ZC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	5
Bond Count	43
Aromatic Bond Count	6

2D diagram of 6ZC

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Chemical Component Summary
Name	4-nitrophenyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
Synonyms	N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-(4-nitrophenoxy)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide; 4-nitrophenyl 2-acetamido-2-deoxy-alpha-D-glucoside; 4-nitrophenyl 2-acetamido-2-deoxy-D-glucoside; 4-nitrophenyl 2-acetamido-2-deoxy-glucoside
Systematic Name (OpenEye OEToolkits)	~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2-(4-nitrophenoxy)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide
Formula	C₁₄ H₁₈ N₂ O₈
Molecular Weight	342.301
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1Oc2ccc(cc2)[N+]([O-])=O
SMILES	OpenEye OEToolkits	2.0.5	CC(=O)NC1C(C(C(OC1Oc2ccc(cc2)[N+](=O)[O-])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]1Oc2ccc(cc2)[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	2.0.5	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O
InChI	InChI	1.03	InChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12-,13-,14+/m1/s1
InChIKey	InChI	1.03	OMRLTNCLYHKQCK-KSTCHIGDSA-N

Related Resource References

Resource Name	Reference
PubChem	82398
ChEBI	CHEBI:90341

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