QBZ
Summary
| Name: | (2~{S},3~{S})-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-3-methyl-2-[(~{E})-3-oxidanylidenepropylideneamino]-4-(1,2,3-triaz ol-1-yl)butanoic acid |
| Synonyms: | Tazobactam imine intermediate |
| Formula: | C10 H13 N4 O6 S |
| Formal charge: | -1 |
| Formula weight: | 317.298 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S})-3-methyl-2-[(~{E})-(3-oxidanyl-3-oxidanylidene-propylidene)amino]-3-sulfinato-4-(1,2,3-triazol-1-yl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H13N4O6S/c1-10(21(19)20,6-14-5-4-12-13-14)8(9(17)18)11-3-2-7(15)16/h3-5,8H,2,6H2,1H3,(H,15,16)(H,17,18)/q-1/b11-3+/t8-,10-/m0/s1 |
| InChIKey | InChI | 1.03 | YNFLCWAICZLYCW-QWLAWDEZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@](Cn1ccnn1)([C@@H](N=CCC(O)=O)C(O)=O)[S-](=O)=O |
| SMILES | CACTVS | 3.385 | C[C](Cn1ccnn1)([CH](N=CCC(O)=O)C(O)=O)[S-](=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@](Cn1ccnn1)([C@H](C(=O)O)/N=C/CC(=O)O)[S-](=O)=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(Cn1ccnn1)(C(C(=O)O)N=CCC(=O)O)[S-](=O)=O |
