| PDB CCD ID: | M5R |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C17 H24 F N3 O4 S |
| InChI: | InChI=1S/C17H24FN3O4S/c1-10(2)5-6-19-12-4-3-11-7-14(22)17(16(18)13(11)8-12)21-9-15(23)20-26(21,24)25/h7,10,12,19,22H,3-6,8-9H2,1-2H3,(H,20,23)/t12-/m1/s1 |
| InChIKey: | DVFCRTGTEXUFIN-GFCCVEGCSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(C)CCN[CH]1CCc2cc(O)c(N3CC(=O)N[S]3(=O)=O)c(F)c2C1 | | ACDLabs 12.01 | O=C1CN(c2c(F)c3CC(NCCC(C)C)CCc3cc2O)S(=O)(=O)N1 | | OpenEye OEToolkits 2.0.7 | CC(C)CCN[C@@H]1CCc2cc(c(c(c2C1)F)N3CC(=O)NS3(=O)=O)O | | CACTVS 3.385 | CC(C)CCN[C@@H]1CCc2cc(O)c(N3CC(=O)N[S]3(=O)=O)c(F)c2C1 | | OpenEye OEToolkits 2.0.7 | CC(C)CCNC1CCc2cc(c(c(c2C1)F)N3CC(=O)NS3(=O)=O)O |
|
| Name: | 5-{(7R)-1-fluoro-3-hydroxy-7-[(3-methylbutyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl}-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione |
| ChEMBL: | CHEMBL5095164 |
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