| PDB CCD ID: | 0RM |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C17 H22 N2 O7 S |
| InChI: | InChI=1S/C17H22N2O7S/c1-17(2)12(16(23)24)19-14(27-17)11(15(21)22)18-13(20)10-8(25-3)6-5-7-9(10)26-4/h5-7,11-12,14,19H,1-4H3,(H,18,20)(H,21,22)(H,23,24)/t11-,12-,14+/m0/s1 |
| InChIKey: | JTBCYLJHKDNILB-SGMGOOAPSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)c2c(OC)cccc2OC | | OpenEye OEToolkits 1.7.6 | CC1(C(NC(S1)C(C(=O)O)NC(=O)c2c(cccc2OC)OC)C(=O)O)C | | OpenEye OEToolkits 1.7.6 | CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)c2c(cccc2OC)OC)C(=O)O)C | | CACTVS 3.370 | COc1cccc(OC)c1C(=O)N[CH]([CH]2N[CH](C(O)=O)C(C)(C)S2)C(O)=O | | CACTVS 3.370 | COc1cccc(OC)c1C(=O)N[C@@H]([C@@H]2N[C@@H](C(O)=O)C(C)(C)S2)C(O)=O |
|
| Name: | (2R,4S)-2-{(R)-carboxy[(2,6-dimethoxybenzoyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;
METHICILLIN, hydroxylated form |
| ZINC: | ZINC000095921041 |
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