1UV
Summary
| Name: | (3aS,4R)-4-amino-13-cyclopropyl-8-fluoro-10-oxo-3a,4,5,6,10,13-hexahydro-1H,3H-pyrrolo[2',1':3,4][1,4]oxazepino[5,6-h]quinoline-11-carboxylic acid |
| Formula: | C19 H20 F N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 373.378 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3aS,4R)-4-amino-13-cyclopropyl-8-fluoro-10-oxo-3a,4,5,6,10,13-hexahydro-1H,3H-pyrrolo[2',1':3,4][1,4]oxazepino[5,6-h]quinoline-11-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C4=CN(c3c2c(N1CCC(N)C1COC2)c(F)cc3C4=O)C5CC5 |
| InChI | InChI | 1.03 | InChI=1S/C19H20FN3O4/c20-13-5-10-16(23(9-1-2-9)6-11(18(10)24)19(25)26)12-7-27-8-15-14(21)3-4-22(15)17(12)13/h5-6,9,14-15H,1-4,7-8,21H2,(H,25,26)/t14-,15-/m1/s1 |
| InChIKey | InChI | 1.03 | DXDXKLSOWWPCNV-HUUCEWRRSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H]1CCN2[C@@H]1COCc3c2c(F)cc4C(=O)C(=CN(C5CC5)c34)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH]1CCN2[CH]1COCc3c2c(F)cc4C(=O)C(=CN(C5CC5)c34)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c2c(c3c(c1F)N4CC[C@H]([C@H]4COC3)N)N(C=C(C2=O)C(=O)O)C5CC5 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c2c(c3c(c1F)N4CCC(C4COC3)N)N(C=C(C2=O)C(=O)O)C5CC5 |
