EF8
Summary
| Name: | 6-[[(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-oxidanyl-phosphoryl]oxyhexylimino-azanylidene-azanium |
| Formula: | C19 H37 N5 O5 P |
| Formal charge: | 1 |
| Formula weight: | 446.501 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 6-[[(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-oxidanyl-phosphoryl]oxyhexylimino-azanylidene-azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H36N5O5P/c1-4-15(5-2)29-18-13-16(12-17(20)19(18)23-14(3)25)30(26,27)28-11-9-7-6-8-10-22-24-21/h13,15,17-19,21H,4-12,20H2,1-3H3,(H-,23,25,26,27)/p+1/t17-,18+,19+/m0/s1 |
| InChIKey | InChI | 1.03 | SQYBSQHYIJSZEH-IPMKNSEASA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)[P](O)(=O)OCCCCCCN=[N+]=N |
| SMILES | CACTVS | 3.385 | CCC(CC)O[CH]1C=C(C[CH](N)[CH]1NC(C)=O)[P](O)(=O)OCCCCCCN=[N+]=N |
| 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)OCCCCCCN=[N+]=N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(CC)OC1C=C(CC(C1NC(=O)C)N)P(=O)(O)OCCCCCCN=[N+]=N |
