|
| Ligand ID | AZR |
| InChI | InChI=1S/C13H19N5O8S2/c1-6(18-28(23,24)25)7(4-19)15-10(20)9(8-5-27-12(14)16-8)17-26-13(2,3)11(21)22/h4-7,18H,1-3H3,(H2,14,16)(H,15,20)(H,21,22)(H,23,24,25)/b17-9-/t6-,7+/m0/s1 |
| InChIKey | OEVQTUTXOVDNJO-GEEOIBTQSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | C[C@@H]([C@@H](C=O)NC(=O)/C(=N\OC(C)(C)C(=O)O)/c1csc(n1)N)NS(=O)(=O)O | | CACTVS 3.370 | C[CH](N[S](O)(=O)=O)[CH](NC(=O)C(=NOC(C)(C)C(O)=O)c1csc(N)n1)C=O | | ACDLabs 12.01 | O=S(=O)(O)NC(C)C(C=O)NC(=O)C(=N\OC(C(=O)O)(C)C)/c1nc(sc1)N | | OpenEye OEToolkits 1.7.6 | CC(C(C=O)NC(=O)C(=NOC(C)(C)C(=O)O)c1csc(n1)N)NS(=O)(=O)O | | CACTVS 3.370 | C[C@H](N[S](O)(=O)=O)[C@H](NC(=O)\C(=N/OC(C)(C)C(O)=O)c1csc(N)n1)C=O |
|
| Formula | C13 H19 N5 O8 S2 |
| Name | 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid;
AZTREONAM, open form |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000015542371
|
| PDB chain | 1fr6 Chain A Residue 362
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
