T68
Summary
| Name: | N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine |
| Synonyms: | N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucosylamine N-[(pyridin-2-ylcarbonyl)carbamoyl]-D-glucosylamine; N-[(pyridin-2-ylcarbonyl)carbamoyl]-glucosylamine |
| Formula: | C13 H17 N3 O7 |
| Formal charge: | 0 |
| Formula weight: | 327.29 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine |
| OpenEye OEToolkits | 1.7.6 | N-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]carbamoyl]pyridine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ncccc2 |
| InChI | InChI | 1.03 | InChI=1S/C13H17N3O7/c17-5-7-8(18)9(19)10(20)12(23-7)16-13(22)15-11(21)6-3-1-2-4-14-6/h1-4,7-10,12,17-20H,5H2,(H2,15,16,21,22)/t7-,8-,9+,10-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | CGKGUAIYBUNWNI-WSOSLHDDSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccccn2)[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.370 | OC[CH]1O[CH](NC(=O)NC(=O)c2ccccn2)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccnc(c1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccnc(c1)C(=O)NC(=O)NC2C(C(C(C(O2)CO)O)O)O |
