NBX
Summary
| Name: | N-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine |
| Synonyms: | N-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-D-glucosylamine N-{[(4-aminophenyl)carbonyl]carbamoyl}-D-glucosylamine; N-{[(4-aminophenyl)carbonyl]carbamoyl}-glucosylamine |
| Formula: | C14 H19 N3 O7 |
| Formal charge: | 0 |
| Formula weight: | 341.317 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine |
| OpenEye OEToolkits | 1.5.0 | 4-amino-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)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1ccc(cc1)C(=O)NC(=O)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O |
| SMILES | CACTVS | 3.341 | Nc1ccc(cc1)C(=O)NC(=O)N[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O |
| 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 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)NC(=O)NC2C(C(C(C(O2)CO)O)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C14H19N3O7/c15-7-3-1-6(2-4-7)12(22)16-14(23)17-13-11(21)10(20)9(19)8(5-18)24-13/h1-4,8-11,13,18-21H,5,15H2,(H2,16,17,22,23)/t8-,9-,10+,11-,13-/m1/s1 |
| InChIKey | InChI | 1.03 | PVSVRIIRRQSFIR-BZNQNGANSA-N |
