A1L7C
Summary
| Name: | [(3~{R})-4-[[3-(4-acetamidobutylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate |
| Formula: | C15 H30 N3 O8 P |
| Formal charge: | 0 |
| Formula weight: | 411.388 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(3~{R})-4-[[3-(4-acetamidobutylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H30N3O8P/c1-11(19)16-7-4-5-8-17-12(20)6-9-18-14(22)13(21)15(2,3)10-26-27(23,24)25/h13,21H,4-10H2,1-3H3,(H,16,19)(H,17,20)(H,18,22)(H2,23,24,25)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | WELIAYKYJCYRGJ-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCCCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)NCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)NCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NCCCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O |
