0RN
Summary
| Name: | SULBACTAM |
| Synonyms: | (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide |
| Formula: | C8 H11 N O5 S |
| Formal charge: | 0 |
| Formula weight: | 233.242 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide |
| OpenEye OEToolkits | 1.7.6 | (2S,5R)-3,3-dimethyl-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S2(=O)C(C(N1C(=O)CC12)C(=O)O)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | FKENQMMABCRJMK-RITPCOANSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC1(C)[C@@H](N2[C@@H](CC2=O)[S]1(=O)=O)C(O)=O |
| SMILES | CACTVS | 3.370 | CC1(C)[CH](N2[CH](CC2=O)[S]1(=O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)C |
