ZXA
Summary
| Name: | N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}acetamide |
| Formula: | C9 H18 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 218.25 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}acetamide |
| OpenEye OEToolkits | 1.5.0 | N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-piperidin-2-yl]methyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NCC1NC(C(O)C(O)C1O)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H]1N[C@H](CNC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | C[CH]1N[CH](CNC(C)=O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)C)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1C(C(C(C(N1)CNC(=O)C)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H18N2O4/c1-4-7(13)9(15)8(14)6(11-4)3-10-5(2)12/h4,6-9,11,13-15H,3H2,1-2H3,(H,10,12)/t4-,6+,7+,8+,9+/m0/s1 |
| InChIKey | InChI | 1.03 | PCXCXTZASITUBF-GDJKBKKHSA-N |
