NBY
Summary
| Name: | N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine |
| Synonyms: | N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-D-glucosylamine N-{[(4-nitrophenyl)carbonyl]carbamoyl}-D-glucosylamine; N-{[(4-nitrophenyl)carbonyl]carbamoyl}-glucosylamine |
| Formula: | C14 H17 N3 O9 |
| Formal charge: | 0 |
| Formula weight: | 371.299 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine |
| OpenEye OEToolkits | 1.5.0 | 4-nitro-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc([N+]([O-])=O)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | OC[CH]1O[CH](NC(=O)NC(=O)c2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)NC(=O)NC2C(C(C(C(O2)CO)O)O)O)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C14H17N3O9/c18-5-8-9(19)10(20)11(21)13(26-8)16-14(23)15-12(22)6-1-3-7(4-2-6)17(24)25/h1-4,8-11,13,18-21H,5H2,(H2,15,16,22,23)/t8-,9-,10+,11-,13-/m1/s1 |
| InChIKey | InChI | 1.03 | TXVZHPDFTXBTMX-BZNQNGANSA-N |
