| PDB CCD ID: | H2N |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H19 F N2 O7 S |
| InChI: | InChI=1S/C16H19FN2O7S/c1-16(14(20)18-22,27(3,23)24)6-7-19-9-13(26-15(19)21)11-5-4-10(25-2)8-12(11)17/h4-5,8-9,22H,6-7H2,1-3H3,(H,18,20)/t16-/m1/s1 |
| InChIKey: | ARJXRYFNKZIMJA-MRXNPFEDSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | C[C@@](CCN1C=C(OC1=O)c2ccc(cc2F)OC)(C(=O)NO)S(=O)(=O)C | | CACTVS 3.385 | COc1ccc(c(F)c1)C2=CN(CC[C@](C)(C(=O)NO)[S](C)(=O)=O)C(=O)O2 | | OpenEye OEToolkits 2.0.6 | CC(CCN1C=C(OC1=O)c2ccc(cc2F)OC)(C(=O)NO)S(=O)(=O)C | | CACTVS 3.385 | COc1ccc(c(F)c1)C2=CN(CC[C](C)(C(=O)NO)[S](C)(=O)=O)C(=O)O2 |
|
| Name: | (2~{R})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide |
| ChEMBL: | CHEMBL4519798 |
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