RD8
Summary
| Name: | Radezolid |
| Synonyms: | RX-1741 |
| Formula: | C22 H23 F N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 438.455 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-({(5S)-3-[2-fluoro-4'-({[(1H-1,2,3-triazol-4-yl)methyl]amino}methyl)[1,1'-biphenyl]-4-yl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[[(5~{S})-3-[3-fluoranyl-4-[4-[(1~{H}-1,2,3-triazol-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3(F)c(c1ccc(cc1)CNCc2cnnn2)ccc(c3)N4CC(OC4=O)CNC(C)=O |
| InChI | InChI | 1.03 | InChI=1S/C22H23FN6O3/c1-14(30)25-12-19-13-29(22(31)32-19)18-6-7-20(21(23)8-18)16-4-2-15(3-5-16)9-24-10-17-11-26-28-27-17/h2-8,11,19,24H,9-10,12-13H2,1H3,(H,25,30)(H,26,27,28)/t19-/m0/s1 |
| InChIKey | InChI | 1.03 | BTTNOGHPGJANSW-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(F)c2)c3ccc(CNCc4c[nH]nn4)cc3 |
| SMILES | CACTVS | 3.385 | CC(=O)NC[CH]1CN(C(=O)O1)c2ccc(c(F)c2)c3ccc(CNCc4c[nH]nn4)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)c3ccc(cc3)CNCc4c[nH]nn4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)c3ccc(cc3)CNCc4c[nH]nn4 |
