26M
Summary
| Name: | N-[(biphenyl-4-yloxy)acetyl]-beta-D-glucopyranosylamine |
| Formula: | C20 H23 N O7 |
| Formal charge: | 0 |
| Formula weight: | 389.399 Da |
| Component type: | SACCHARIDE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(biphenyl-4-yloxy)acetyl]-beta-D-glucopyranosylamine |
| OpenEye OEToolkits | 1.7.6 | N-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-(4-phenylphenoxy)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC1OC(C(O)C(O)C1O)CO)COc3ccc(c2ccccc2)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C20H23NO7/c22-10-15-17(24)18(25)19(26)20(28-15)21-16(23)11-27-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,17-20,22,24-26H,10-11H2,(H,21,23)/t15-,17-,18+,19-,20-/m1/s1 |
| InChIKey | InChI | 1.03 | NSADEBQKFSASLM-XIKSMUEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@H](NC(=O)COc2ccc(cc2)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](NC(=O)COc2ccc(cc2)c3ccccc3)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2ccc(cc2)OCC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2ccc(cc2)OCC(=O)NC3C(C(C(C(O3)CO)O)O)O |
