A1L5V
Summary
| Name: | 6-[(5S)-5-[[[2-(7-Fluoro-1,2-dihydro-1-methyl-2-oxo-8-quinolinyl)ethyl]amino]methyl]-2-oxo-3-oxazolidinyl]-2H-pyrazino[2,3-b]-1,4-oxazin-3(4H)-one |
| Synonyms: | BWC0977 |
| Formula: | C22 H21 F N6 O5 |
| Formal charge: | 0 |
| Formula weight: | 468.438 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[(5~{S})-5-[[2-(7-fluoranyl-1-methyl-2-oxidanylidene-quinolin-8-yl)ethylamino]methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-4~{H}-pyrazino[2,3-b][1,4]oxazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H21FN6O5/c1-28-18(31)5-3-12-2-4-15(23)14(19(12)28)6-7-24-8-13-10-29(22(32)34-13)16-9-25-21-20(26-16)27-17(30)11-33-21/h2-5,9,13,24H,6-8,10-11H2,1H3,(H,26,27,30) |
| InChIKey | InChI | 1.06 | MKICNOUBIXXGPQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)C=Cc2ccc(F)c(CCNC[C@H]3CN(C(=O)O3)c4cnc5OCC(=O)Nc5n4)c12 |
| SMILES | CACTVS | 3.385 | CN1C(=O)C=Cc2ccc(F)c(CCNC[CH]3CN(C(=O)O3)c4cnc5OCC(=O)Nc5n4)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1c2c(ccc(c2CCNC[C@H]3CN(C(=O)O3)c4cnc5c(n4)NC(=O)CO5)F)C=CC1=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1c2c(ccc(c2CCNCC3CN(C(=O)O3)c4cnc5c(n4)NC(=O)CO5)F)C=CC1=O |
