Summary
| Name: | (5R,6S)-6-[(1R)-1-HYDROXYETHYL]-7-OXO-3-[(2R)-TETRAHYDROFURAN-2-YL]-4-THIA-1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLATE |
| Synonyms: | FAROM |
| Formula: | C12 H14 N O5 S |
| Formal charge: | -1 |
| Formula weight: | 284.308 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5R,6S)-6-[(1S)-1-hydroxyethyl]-7-oxo-3-[(2R)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate |
| OpenEye OEToolkits | 1.7.6 | (5R,6S)-6-[(1S)-1-oxidanylethyl]-7-oxidanylidene-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2N1C(=C(SC1C2C(O)C)C3OCCC3)C([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)/p-1/t5-,6+,7-,11+/m0/s1 |
| InChIKey | InChI | 1.03 | HGGAKXAHAYOLDJ-QMWPFBOUSA-M |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](O)[C@@H]1[C@H]2SC(=C(N2C1=O)C([O-])=O)[C@H]3CCCO3 |
| SMILES | CACTVS | 3.370 | C[CH](O)[CH]1[CH]2SC(=C(N2C1=O)C([O-])=O)[CH]3CCCO3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)[O-])O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C1C2N(C1=O)C(=C(S2)C3CCCO3)C(=O)[O-])O |
