IFG
Summary
| Name: | (2R,3R,4S,5R)-2-ACETAMIDO-3,4-DIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE |
| Formula: | C8 H16 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 204.224 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]acetamide |
| OpenEye OEToolkits | 1.5.0 | N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC1NCC(CO)C(O)C1O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@H]1NC[C@H](CO)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | CC(=O)N[CH]1NC[CH](CO)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@@H]1[C@H]([C@H]([C@H](CN1)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC1C(C(C(CN1)CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H16N2O4/c1-4(12)10-8-7(14)6(13)5(3-11)2-9-8/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8-/m1/s1 |
| InChIKey | InChI | 1.03 | IWVRQJNSUOIUFV-VGRMVHKJSA-N |
