445
Summary
| Name: | N-[oxo(phenylamino)acetyl]-beta-D-glucopyranosylamine |
| Synonyms: | N-[oxo(phenylamino)acetyl]-beta-D-glucosylamine N-[oxo(phenylamino)acetyl]-D-glucosylamine; N-[oxo(phenylamino)acetyl]-glucosylamine |
| Formula: | C14 H18 N2 O7 |
| Formal charge: | 0 |
| Formula weight: | 326.302 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[oxo(phenylamino)acetyl]-beta-D-glucopyranosylamine |
| OpenEye OEToolkits | 1.5.0 | N-phenyl-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)Nc2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@@H](NC(=O)C(=O)Nc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | OC[CH]1O[CH](NC(=O)C(=O)Nc2ccccc2)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)NC(=O)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)NC(=O)C(=O)NC2C(C(C(C(O2)CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H18N2O7/c17-6-8-9(18)10(19)11(20)14(23-8)16-13(22)12(21)15-7-4-2-1-3-5-7/h1-5,8-11,14,17-20H,6H2,(H,15,21)(H,16,22)/t8-,9-,10+,11-,14-/m1/s1 |
| InChIKey | InChI | 1.03 | MWGDULHTYQLGFY-YNXVLUOKSA-N |
