| PDB CCD ID: | XQU |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C11 H14 Cl2 N2 O4 |
| InChI: | InChI=1S/C11H14Cl2N2O4/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(15-19)4-2-6/h1-4,8-10,15-17,19H,5H2,(H,14,18)/t8-,9-/m1/s1 |
| InChIKey: | BLAGYAGCQKHABH-RKDXNWHRSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1cc(ccc1C(C(CO)NC(=O)C(Cl)Cl)O)NO | | ACDLabs 12.01 | ONc1ccc(cc1)C(O)C(CO)NC(=O)C(Cl)Cl | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)NO | | CACTVS 3.385 | OC[CH](NC(=O)C(Cl)Cl)[CH](O)c1ccc(NO)cc1 | | CACTVS 3.385 | OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(NO)cc1 |
|
| Name: | nitrosochloramphenicol;
2,2-dichloro-N-{(1R,2R)-1,3-dihydroxy-1-[4-(hydroxyamino)phenyl]propan-2-yl}acetamide |
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