R0B
Summary
| Name: | (2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid |
| Synonyms: | hydrolyzed faropenem (ring-open form) |
| Formula: | C12 H19 N O5 S |
| Formal charge: | 0 |
| Formula weight: | 289.348 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H19NO5S/c1-3-4-5-7-9(12(17)18)13-10(19-7)8(6(2)14)11(15)16/h6,8,10,13-14H,3-5H2,1-2H3,(H,15,16)(H,17,18)/t6-,8-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | XZQPLQFTHPIJQP-GTNGPMTGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC1=C(N[C@H](S1)[C@@H]([C@@H](C)O)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCC1=C(N[CH](S1)[CH]([CH](C)O)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCC1=C(N[C@H](S1)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC1=C(NC(S1)C(C(C)O)C(=O)O)C(=O)O |
