N7E
Summary
| Name: | N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(5-methoxypentyl)-beta-alaninamide |
| Formula: | C15 H31 N2 O8 P |
| Formal charge: | 0 |
| Formula weight: | 398.389 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(5-methoxypentyl)-beta-alaninamide |
| OpenEye OEToolkits | 2.0.4 | [(3~{R})-4-[[3-(5-methoxypentylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OP(O)(=O)OCC(C(O)C(=O)NCCC(=O)NCCCCCOC)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C15H31N2O8P/c1-15(2,11-25-26(21,22)23)13(19)14(20)17-9-7-12(18)16-8-5-4-6-10-24-3/h13,19H,4-11H2,1-3H3,(H,16,18)(H,17,20)(H2,21,22,23)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | FOBYDOXAQNKICH-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCCCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | COCCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCCCOC)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCCCCOC)O |
