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| Ligand ID | KEF |
| InChI | InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,6,10-11,14H,5H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,11-,14-/m1/s1 |
| InChIKey | AIEMBSSBMKFDGU-HPUGUEDKSA-N |
| SMILES | | Software | SMILES |
|---|
| ACDLabs 10.04 | O=C2N1C(C(=CSC1C2NC(=O)C(=N\OC)/c3occc3)COC(=O)N)C(=O)O | | OpenEye OEToolkits 1.5.0 | CON=C(c1ccco1)C(=O)NC2C3N(C2=O)C(C(=CS3)COC(=O)N)C(=O)O | | CACTVS 3.341 | CON=C(C(=O)N[CH]1[CH]2SC=C(COC(N)=O)[CH](N2C1=O)C(O)=O)c3occc3 | | OpenEye OEToolkits 1.5.0 | CON=C(c1ccco1)C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)COC(=O)N)C(=O)O | | CACTVS 3.341 | CO\N=C(C(=O)N[C@H]1[C@H]2SC=C(COC(N)=O)[C@@H](N2C1=O)C(O)=O)\c3occc3 |
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| Formula | C16 H16 N4 O8 S |
| Name | CEFUROXIME (OCT-3-ENE FORM);
(6R,7R)-3-CARBAMOYLOXYMETHYL-7-[2-(2-FURYL)-2-(METHOXYIMINO)ACETAMIDO]-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-3-ENE-2-CARB OXYLIC ACID;
(6R,7R)-3-CARBAMOYLOXYMETHYL-7-[2-(2-FURYL)-2-(METHOXYIMINO)ACETAMIDO] CEPH-3-EM-4-CARBOXYLIC ACID |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000058638845
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| PDB chain | 1qmf Chain A Residue 900
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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