1BW
Summary
| Name: | N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]butanamide |
| Formula: | C10 H20 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 232.277 Da |
| Component type: | D-SACCHARIDE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]butanamide |
| OpenEye OEToolkits | 1.7.6 | N-[(3S,4R,5R,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-3-yl]butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC1C(O)C(O)C(NC1)CO)CCC |
| InChI | InChI | 1.03 | InChI=1S/C10H20N2O4/c1-2-3-8(14)12-6-4-11-7(5-13)10(16)9(6)15/h6-7,9-11,13,15-16H,2-5H2,1H3,(H,12,14)/t6-,7+,9+,10+/m0/s1 |
| InChIKey | InChI | 1.03 | VBNOVDONOYTBSV-MVHNUAHISA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCC(=O)N[C@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.370 | CCCC(=O)N[CH]1CN[CH](CO)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCC(=O)N[C@H]1CN[C@@H]([C@H]([C@@H]1O)O)CO |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCC(=O)NC1CNC(C(C1O)O)CO |
