| PDB CCD ID: | R3N |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H17 N O6 S |
| InChI: | InChI=1S/C12H17NO6S/c1-5(14)7(11(15)16)10-13-8(12(17)18)9(20-10)6-3-2-4-19-6/h5-7,9-10,14H,2-4H2,1H3,(H,15,16)(H,17,18)/t5-,6-,7-,9-,10-/m1/s1 |
| InChIKey: | SVIXNOHLIBGRQI-CTNSIQBBSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(C(C1N=C(C(S1)C2CCCO2)C(=O)O)C(=O)O)O | | OpenEye OEToolkits 2.0.7 | C[C@H]([C@H]([C@@H]1N=C([C@H](S1)[C@H]2CCCO2)C(=O)O)C(=O)O)O | | CACTVS 3.385 | C[CH](O)[CH]([CH]1S[CH]([CH]2CCCO2)C(=N1)C(O)=O)C(O)=O | | CACTVS 3.385 | C[C@@H](O)[C@H]([C@H]1S[C@H]([C@H]2CCCO2)C(=N1)C(O)=O)C(O)=O |
|
| Name: | (2R,5S)-2-[(1S,2R)-1-carboxy-2-hydroxy-propyl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydrothiazole-4-carboxylic acid;
(2~{R},5~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-[(2~{R})-oxolan-2-yl]-1,3-thiazolidine-4-carboxylic acid |
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