F68
Summary
| Name: | N-{[(4-methylphenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine |
| Formula: | C15 H20 N2 O7 |
| Formal charge: | 0 |
| Formula weight: | 340.329 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-{[(4-methylphenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine |
| OpenEye OEToolkits | 1.5.0 | 4-methyl-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(cc2)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccc(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 | Cc1ccc(cc1)C(=O)NC(=O)N[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1)C(=O)NC(=O)NC2C(C(C(C(O2)CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H20N2O7/c1-7-2-4-8(5-3-7)13(22)16-15(23)17-14-12(21)11(20)10(19)9(6-18)24-14/h2-5,9-12,14,18-21H,6H2,1H3,(H2,16,17,22,23)/t9-,10-,11+,12-,14-/m1/s1 |
| InChIKey | InChI | 1.03 | DUVVGYBLYHSFMV-YGEZULPYSA-N |
