| PDB CCD ID: | 4U5 |
| Number of entries in BioLiP: | 12 |
| Chemical formula: | C17 H22 N4 O3 |
| InChI: | InChI=1S/C17H22N4O3/c1-17(2,3)16(23)19-14(15(22)20-24)12-7-5-11(6-8-12)13-9-18-21(4)10-13/h5-10,14,24H,1-4H3,(H,19,23)(H,20,22)/t14-/m1/s1 |
| InChIKey: | XIZQLYZWBXQWFR-CQSZACIVSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.9.2 | CC(C)(C)C(=O)NC(c1ccc(cc1)c2cnn(c2)C)C(=O)NO | | ACDLabs 12.01 | CC(C)(C)C(NC(C(=O)NO)c1ccc(cc1)c2cnn(c2)C)=O | | CACTVS 3.385 | Cn1cc(cn1)c2ccc(cc2)[C@@H](NC(=O)C(C)(C)C)C(=O)NO | | CACTVS 3.385 | Cn1cc(cn1)c2ccc(cc2)[CH](NC(=O)C(C)(C)C)C(=O)NO | | OpenEye OEToolkits 1.9.2 | CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO |
|
| Name: | N-{(1R)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}-2,2-dimethylpropanamide |
| ZINC: | ZINC000584905173 |
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