F59
Summary
| Name: | N-[(biphenyl-4-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine |
| Formula: | C20 H22 N2 O7 |
| Formal charge: | 0 |
| Formula weight: | 402.398 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(biphenyl-4-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine |
| OpenEye OEToolkits | 1.5.0 | 4-phenyl-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)c3ccc(c2ccccc2)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccc(cc2)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | OC[CH]1O[CH](NC(=O)NC(=O)c2ccc(cc2)c3ccccc3)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2ccc(cc2)C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2ccc(cc2)C(=O)NC(=O)NC3C(C(C(C(O3)CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C20H22N2O7/c23-10-14-15(24)16(25)17(26)19(29-14)22-20(28)21-18(27)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-17,19,23-26H,10H2,(H2,21,22,27,28)/t14-,15-,16+,17-,19-/m1/s1 |
| InChIKey | InChI | 1.03 | ZINVIKWRSBKXJV-OGJJZOIMSA-N |
