475
Summary
| Name: | N-[oxo(pyridin-2-ylamino)acetyl]-beta-D-glucopyranosylamine |
| Synonyms: | N-[oxo(pyridin-2-ylamino)acetyl]-beta-D-glucosylamine N-[oxo(pyridin-2-ylamino)acetyl]-D-glucosylamine; N-[oxo(pyridin-2-ylamino)acetyl]-glucosylamine |
| Formula: | C13 H17 N3 O7 |
| Formal charge: | 0 |
| Formula weight: | 327.29 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[oxo(pyridin-2-ylamino)acetyl]-beta-D-glucopyranosylamine |
| OpenEye OEToolkits | 1.5.0 | N-pyridin-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)Nc2ncccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@@H](NC(=O)C(=O)Nc2ccccn2)[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | OC[CH]1O[CH](NC(=O)C(=O)Nc2ccccn2)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccnc(c1)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 | c1ccnc(c1)NC(=O)C(=O)NC2C(C(C(C(O2)CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H17N3O7/c17-5-6-8(18)9(19)10(20)13(23-6)16-12(22)11(21)15-7-3-1-2-4-14-7/h1-4,6,8-10,13,17-20H,5H2,(H,16,22)(H,14,15,21)/t6-,8-,9+,10-,13-/m1/s1 |
| InChIKey | InChI | 1.03 | XWDCGBAAIPNJDU-ODYQSLDMSA-N |
