ZIA
Summary
| Name: | [(2R)-5-oxopyrrolidin-2-yl]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside |
| Formula: | C13 H22 N2 O7 |
| Formal charge: | 0 |
| Formula weight: | 318.323 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(2R)-5-oxopyrrolidin-2-yl]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-[[(2~{R})-5-oxidanylidenepyrrolidin-2-yl]methoxy]oxan-3-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(=O)NC1C(O)C(O)C(CO)OC1OCC1CCC(=O)N1 |
| InChI | InChI | 1.06 | InChI=1S/C13H22N2O7/c1-6(17)14-10-12(20)11(19)8(4-16)22-13(10)21-5-7-2-3-9(18)15-7/h7-8,10-13,16,19-20H,2-5H2,1H3,(H,14,17)(H,15,18)/t7-,8-,10-,11-,12-,13-/m1/s1 |
| InChIKey | InChI | 1.06 | KCXADKXCRNBSFF-IOJHDDLYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC[C@H]2CCC(=O)N2 |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OC[CH]2CCC(=O)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@H]2CCC(=O)N2)CO)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC1C(C(C(OC1OCC2CCC(=O)N2)CO)O)O |
