| PDB CCD ID: | 7EP |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C17 H22 N2 O6 S |
| InChI: | InChI=1S/C17H22N2O6S/c1-17(2)13(16(22)23)19-15(26-17)9(8-20)18-14(21)12-10(24-3)6-5-7-11(12)25-4/h5-9,13,15,19H,1-4H3,(H,18,21)(H,22,23)/t9-,13+,15-/m1/s1 |
| InChIKey: | SKOKQNRJVBPEBM-ZDBHGNHJSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | COc1cccc(OC)c1C(=O)N[CH](C=O)[CH]2N[CH](C(O)=O)C(C)(C)S2 | | OpenEye OEToolkits 1.7.6 | CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)c2c(cccc2OC)OC)C(=O)O)C | | OpenEye OEToolkits 1.7.6 | CC1(C(NC(S1)C(C=O)NC(=O)c2c(cccc2OC)OC)C(=O)O)C | | ACDLabs 12.01 | O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c2c(OC)cccc2OC | | CACTVS 3.370 | COc1cccc(OC)c1C(=O)N[C@H](C=O)[C@@H]2N[C@@H](C(O)=O)C(C)(C)S2 |
|
| Name: | (2R,4S)-2-[(1R)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;
methicillin, bound form |
| ZINC: | ZINC000095921042 |
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