UI9
Summary
| Name: | 2-chloro-N-{[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide |
| Formula: | C19 H17 Cl F N7 O3 |
| Formal charge: | 0 |
| Formula weight: | 445.835 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-chloro-N-{[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-~{N}-[[(5~{S})-3-[3-fluoranyl-4-[6-(2-methyl-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCC1CN(C(=O)O1)c1ccc(c2ccc(nc2)c2nn(C)nn2)c(F)c1)CCl |
| InChI | InChI | 1.06 | InChI=1S/C19H17ClFN7O3/c1-27-25-18(24-26-27)16-5-2-11(8-22-16)14-4-3-12(6-15(14)21)28-10-13(31-19(28)30)9-23-17(29)7-20/h2-6,8,13H,7,9-10H2,1H3,(H,23,29)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | VVZVMIYJLRPJQL-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nnc(n1)c2ccc(cn2)c3ccc(cc3F)N4C[C@H](CNC(=O)CCl)OC4=O |
| SMILES | CACTVS | 3.385 | Cn1nnc(n1)c2ccc(cn2)c3ccc(cc3F)N4C[CH](CNC(=O)CCl)OC4=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1nc(nn1)c2ccc(cn2)c3ccc(cc3F)N4C[C@@H](OC4=O)CNC(=O)CCl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1nc(nn1)c2ccc(cn2)c3ccc(cc3F)N4CC(OC4=O)CNC(=O)CCl |
