CRA
Summary
| Name: | 1-DEOXY-1-METHOXYCARBAMIDO-BETA-D-GLUCO-2-HEPTULOPYRANOSONAMIDE |
| Formula: | C9 H16 N2 O8 |
| Formal charge: | 0 |
| Formula weight: | 280.232 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | methyl [(2S,3R,4S,5S,6R)-2-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]carbamate (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | methyl N-[(2S,3R,4S,5S,6R)-2-aminocarbonyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OC)NC1(OC(CO)C(O)C(O)C1O)C(=O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)N[C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O |
| SMILES | CACTVS | 3.341 | COC(=O)N[C]1(O[CH](CO)[CH](O)[CH](O)[CH]1O)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COC(=O)N[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | COC(=O)NC1(C(C(C(C(O1)CO)O)O)O)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H16N2O8/c1-18-8(17)11-9(7(10)16)6(15)5(14)4(13)3(2-12)19-9/h3-6,12-15H,2H2,1H3,(H2,10,16)(H,11,17)/t3-,4-,5+,6-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | ZQTAMPRAONLFQI-FMTWGGRWSA-N |
