| PDB CCD ID: | 30H |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H18 F N3 O4 S |
| InChI: | InChI=1S/C16H18FN3O4S/c1-11-8-14(5-6-15(11)17)25(23,24)20(12(2)16(21)19-22)10-13-4-3-7-18-9-13/h3-9,12,22H,10H2,1-2H3,(H,19,21)/t12-/m1/s1 |
| InChIKey: | OFKSJKLKSOBXCJ-GFCCVEGCSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[C@@H](N(Cc1cccnc1)[S](=O)(=O)c2ccc(F)c(C)c2)C(=O)NO | | CACTVS 3.385 | C[CH](N(Cc1cccnc1)[S](=O)(=O)c2ccc(F)c(C)c2)C(=O)NO | | OpenEye OEToolkits 1.9.2 | Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccnc2)[C@H](C)C(=O)NO | | ACDLabs 12.01 | Fc1c(cc(cc1)S(=O)(=O)N(Cc2cccnc2)C(C(=O)NO)C)C | | OpenEye OEToolkits 1.9.2 | Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccnc2)C(C)C(=O)NO |
|
| Name: | N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-(pyridin-3-ylmethyl)-D-alaninamide |
| ZINC: | ZINC000219047749 |
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