179
Summary
| Name: | N-[(naphthalen-2-ylamino)(oxo)acetyl]-beta-D-glucopyranosylamine |
| Formula: | C18 H20 N2 O7 |
| Formal charge: | 0 |
| Formula weight: | 376.361 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(naphthalen-2-ylamino)(oxo)acetyl]-beta-D-glucopyranosylamine |
| OpenEye OEToolkits | 1.5.0 | N-naphthalen-2-yl-N'-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanediamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)Nc3cc2ccccc2cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@@H](NC(=O)C(=O)Nc2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | OC[CH]1O[CH](NC(=O)C(=O)Nc2ccc3ccccc3c2)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2cc(ccc2c1)NC(=O)C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2cc(ccc2c1)NC(=O)C(=O)NC3C(C(C(C(O3)CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C18H20N2O7/c21-8-12-13(22)14(23)15(24)18(27-12)20-17(26)16(25)19-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,18,21-24H,8H2,(H,19,25)(H,20,26)/t12-,13-,14+,15-,18-/m1/s1 |
| InChIKey | InChI | 1.03 | WDRIXCWRSIXUDT-VPKNTQAGSA-N |
