FPM
Summary
| Name: | (5R,6S)-6-(1-hydroxyethyl)-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
| Synonyms: | Faropenem |
| Formula: | C12 H15 N O5 S |
| Formal charge: | 0 |
| Formula weight: | 285.316 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | (5R,6S)-6-(1-hydroxyethyl)-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2N1C(=C(SC1C2C(O)C)C3OCCC3)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](O)[C@@H]1[C@H]2SC(=C(N2C1=O)C(O)=O)[C@H]3CCCO3 |
| SMILES | CACTVS | 3.341 | C[CH](O)[CH]1[CH]2SC(=C(N2C1=O)C(O)=O)[CH]3CCCO3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C1C2N(C1=O)C(=C(S2)C3CCCO3)C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1 |
| InChIKey | InChI | 1.03 | HGGAKXAHAYOLDJ-FHZUQPTBSA-N |
