CAW
Summary
| Name: | N-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]carbamoyl]naphthalene-1-carboxamide |
| Formula: | C18 H20 N2 O7 |
| Formal charge: | 0 |
| Formula weight: | 376.361 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(naphthalen-1-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine |
| OpenEye OEToolkits | 1.9.2 | N-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]carbamoyl]naphthalene-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c3c2ccccc2ccc3 |
| InChI | InChI | 1.03 | InChI=1S/C18H20N2O7/c21-8-12-13(22)14(23)15(24)17(27-12)20-18(26)19-16(25)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-15,17,21-24H,8H2,(H2,19,20,25,26)/t12-,13-,14+,15-,17-/m1/s1 |
| InChIKey | InChI | 1.03 | VEHFJUDJKOIMSO-OWVAZHOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@H](NC(=O)NC(=O)c2cccc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](NC(=O)NC(=O)c2cccc3ccccc23)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)cccc2C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)cccc2C(=O)NC(=O)NC3C(C(C(C(O3)CO)O)O)O |
