GYV
2-acetamido-1-O-carbamoyl-2-deoxy-alpha-D-glucopyranose
Created: | 2010-01-26 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 34 |
Chiral Atom Count | 5 |
Bond Count | 34 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 2-acetamido-1-O-carbamoyl-2-deoxy-alpha-D-glucopyranose |
Synonyms | 2-(ACETYLAMINO)-1-O-CARBAMOYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSE; 2-acetamido-1-O-carbamoyl-2-deoxy-alpha-D-glucose; 2-acetamido-1-O-carbamoyl-2-deoxy-D-glucose; 2-acetamido-1-O-carbamoyl-2-deoxy-glucose |
Systematic Name (OpenEye OEToolkits) | [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] carbamate |
Formula | C9 H16 N2 O7 |
Molecular Weight | 264.233 |
Type | D-SACCHARIDE |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(OC1OC(C(O)C(O)C1NC(=O)C)CO)N |
SMILES | CACTVS | 3.352 | CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OC(N)=O |
SMILES | OpenEye OEToolkits | 1.6.1 | CC(=O)NC1C(C(C(OC1OC(=O)N)CO)O)O |
Canonical SMILES | CACTVS | 3.352 | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OC(N)=O |
Canonical SMILES | OpenEye OEToolkits | 1.6.1 | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(=O)N)CO)O)O |
InChI | InChI | 1.03 | InChI=1S/C9H16N2O7/c1-3(13)11-5-7(15)6(14)4(2-12)17-8(5)18-9(10)16/h4-8,12,14-15H,2H2,1H3,(H2,10,16)(H,11,13)/t4-,5-,6-,7-,8-/m1/s1 |
InChIKey | InChI | 1.03 | BMFDLZBABRHLIB-FMDGEEDCSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 46174147 |