BEU
Summary
| Name: | N-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY-4-(HYDROXYMETHYL)CYCLOHEX-3-EN-1-YL]ACETAMIDE |
| Synonyms: | 2-ACETYLAMINO-2-DEOXY-1-EPIVALIENAMINE |
| Formula: | C9 H16 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 216.234 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(1S,2R,5R,6R)-2-amino-5,6-dihydroxy-4-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide |
| OpenEye OEToolkits | 1.5.0 | N-[(1S,2R,5R,6R)-2-amino-5,6-dihydroxy-4-(hydroxymethyl)-1-cyclohex-3-enyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC1C(C=C(C(O)C1O)CO)N)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@H]1[C@H](N)C=C(CO)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | CC(=O)N[CH]1[CH](N)C=C(CO)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@H]1[C@@H](C=C([C@H]([C@@H]1O)O)CO)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC1C(C=C(C(C1O)O)CO)N |
| InChI | InChI | 1.03 | InChI=1S/C9H16N2O4/c1-4(13)11-7-6(10)2-5(3-12)8(14)9(7)15/h2,6-9,12,14-15H,3,10H2,1H3,(H,11,13)/t6-,7+,8-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | WWUMIYBLWZAJTD-BZNPZCIMSA-N |
