A1IFN
Summary
| Name: | [(2~{R})-4-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-[[4-[2,2,2-tris(fluoranyl)ethanoyl]phenyl]amino]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]phosphonic acid |
| Formula: | C19 H26 F3 N2 O6 P |
| Formal charge: | 0 |
| Formula weight: | 466.389 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R})-4-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-[[4-[2,2,2-tris(fluoranyl)ethanoyl]phenyl]amino]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H26F3N2O6P/c1-10(2)9-14(31(28,29)30)17(26)24-15(11(3)4)18(27)23-13-7-5-12(6-8-13)16(25)19(20,21)22/h5-8,10-11,14-15H,9H2,1-4H3,(H,23,27)(H,24,26)(H2,28,29,30)/t14-,15+/m1/s1 |
| InChIKey | InChI | 1.06 | GKDUMYHHGNKYPT-CABCVRRESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](C(=O)N[C@@H](C(C)C)C(=O)Nc1ccc(cc1)C(=O)C(F)(F)F)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](C(=O)N[CH](C(C)C)C(=O)Nc1ccc(cc1)C(=O)C(F)(F)F)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@H](C(=O)N[C@@H](C(C)C)C(=O)Nc1ccc(cc1)C(=O)C(F)(F)F)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(C(=O)NC(C(C)C)C(=O)Nc1ccc(cc1)C(=O)C(F)(F)F)P(=O)(O)O |
