| PDB CCD ID: | KW1 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C8 H9 Br N2 O4 S |
| InChI: | InChI=1S/C8H9BrN2O4S/c1-4-7(9)8(11-15-4)10-5(12)2-16-3-6(13)14/h2-3H2,1H3,(H,13,14)(H,10,11,12) |
| InChIKey: | CMJFFJICEDWDAG-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | C(SCC(O)=O)C(Nc1c(c(C)on1)Br)=O | | CACTVS 3.385 | Cc1onc(NC(=O)CSCC(O)=O)c1Br | | OpenEye OEToolkits 2.0.7 | Cc1c(c(no1)NC(=O)CSCC(=O)O)Br |
|
| Name: | ({2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)acetic acid |
| ChEMBL: | CHEMBL1579642 |
| ZINC: | ZINC000000154735 |
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