Obsolete: A1H57
Summary
| Name: | tazobactam (2S,3S,5R) |
| Formula: | C10 H12 N4 O5 S |
| Formal charge: | 0 |
| Formula weight: | 300.291 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S},5~{R})-3-methyl-4,4,7-tris(oxidanylidene)-3-(1,2,3-triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1 |
| InChIKey | InChI | 1.06 | LPQZKKCYTLCDGQ-WEDXCCLWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]1(Cn2ccnn2)[C@@H](N3[C@@H](CC3=O)[S]1(=O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[C]1(Cn2ccnn2)[CH](N3[CH](CC3=O)[S]1(=O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)Cn3ccnn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)Cn3ccnn3 |
