OPV
Summary
| Name: | ~{N}-[(4~{S},5~{S})-2-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide |
| Formula: | C16 H18 N4 O5 |
| Formal charge: | 0 |
| Formula weight: | 346.338 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(4~{S},5~{S})-2-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H18N4O5/c1-9-13(19-15(23)11-3-2-4-12(21)14(11)22)16(24)20(25-9)6-5-10-7-17-8-18-10/h2-4,7-9,13,21-22H,5-6H2,1H3,(H,17,18)(H,19,23)/t9-,13-/m0/s1 |
| InChIKey | InChI | 1.03 | YQXURFXJBIFMOA-ZANVPECISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1ON(CCc2c[nH]cn2)C(=O)[C@H]1NC(=O)c3cccc(O)c3O |
| SMILES | CACTVS | 3.385 | C[CH]1ON(CCc2c[nH]cn2)C(=O)[CH]1NC(=O)c3cccc(O)c3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H]1[C@@H](C(=O)N(O1)CCc2c[nH]cn2)NC(=O)c3cccc(c3O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1C(C(=O)N(O1)CCc2c[nH]cn2)NC(=O)c3cccc(c3O)O |
