| PDB CCD ID: | 1S6 |
| Number of entries in BioLiP: | 16 |
| Chemical formula: | C19 H21 N3 O5 S |
| InChI: | InChI=1S/C19H21N3O5S/c1-10-13(14(22-27-10)11-7-5-4-6-8-11)16(24)20-12(9-23)17-21-15(18(25)26)19(2,3)28-17/h4-9,12,15,17,21H,1-3H3,(H,20,24)(H,25,26)/t12-,15+,17-/m1/s1 |
| InChIKey: | QXXMSXCGXIRLPM-ISTRZQFTSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | Cc1onc(c2ccccc2)c1C(=O)N[C@H](C=O)[C@@H]3N[C@@H](C(O)=O)C(C)(C)S3 | | ACDLabs 12.01 | O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c3c(onc3c2ccccc2)C | | OpenEye OEToolkits 1.7.6 | Cc1c(c(no1)c2ccccc2)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O | | OpenEye OEToolkits 1.7.6 | Cc1c(c(no1)c2ccccc2)C(=O)NC(C=O)C3NC(C(S3)(C)C)C(=O)O | | CACTVS 3.370 | Cc1onc(c2ccccc2)c1C(=O)N[CH](C=O)[CH]3N[CH](C(O)=O)C(C)(C)S3 |
|
| Name: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid;
Oxacillin, bound form |
| ZINC: | ZINC000103522352 |
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