EEW
Summary
| Name: | [(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-methoxy-phosphinic acid |
| Formula: | C14 H27 N2 O5 P |
| Formal charge: | 0 |
| Formula weight: | 334.348 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-methoxy-phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H27N2O5P/c1-5-10(6-2)21-13-8-11(22(18,19)20-4)7-12(15)14(13)16-9(3)17/h8,10,12-14H,5-7,15H2,1-4H3,(H,16,17)(H,18,19)/t12-,13+,14+/m0/s1 |
| InChIKey | InChI | 1.03 | PYXVXICPPTUQQZ-BFHYXJOUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)[P](O)(=O)OC |
| SMILES | CACTVS | 3.385 | CCC(CC)O[CH]1C=C(C[CH](N)[CH]1NC(C)=O)[P](O)(=O)OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)P(=O)(O)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(CC)OC1C=C(CC(C1NC(=O)C)N)P(=O)(O)OC |
