| PDB CCD ID: | F4W |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C12 H12 N2 O3 S |
| InChI: | InChI=1S/C12H12N2O3S/c15-9(16)5-4-8-13-11(17)10-6-2-1-3-7(6)18-12(10)14-8/h1-5H2,(H,15,16)(H,13,14,17) |
| InChIKey: | XKPJAYXICQQVTD-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | C1Cc2c(sc3c2C(=O)NC(=N3)CCC(=O)O)C1 | | CACTVS 3.385 | OC(=O)CCC1=Nc2sc3CCCc3c2C(=O)N1 |
|
| Name: | 3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid |
| ChEMBL: | CHEMBL4175931 |
| ZINC: | ZINC000005072974 |
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