| PDB CCD ID: | A1BJD |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C20 H18 Cl N5 O4 |
| InChI: | InChI=1S/C20H18ClN5O4/c1-11(26(2)19(28)15-4-3-5-22-16(15)20(29)30)18(27)25-14-9-12(8-13(21)10-14)17-23-6-7-24-17/h3-11H,1-2H3,(H,23,24)(H,25,27)(H,29,30)/t11-/m0/s1 |
| InChIKey: | NOHBZQQIHRILRX-NSHDSACASA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[C@H](N(C)C(=O)c1cccnc1C(O)=O)C(=O)Nc2cc(Cl)cc(c2)c3[nH]ccn3 | | OpenEye OEToolkits 3.1.0.0 | CC(C(=O)Nc1cc(cc(c1)Cl)c2[nH]ccn2)N(C)C(=O)c3cccnc3C(=O)O | | OpenEye OEToolkits 3.1.0.0 | C[C@@H](C(=O)Nc1cc(cc(c1)Cl)c2[nH]ccn2)N(C)C(=O)c3cccnc3C(=O)O | | CACTVS 3.385 | C[CH](N(C)C(=O)c1cccnc1C(O)=O)C(=O)Nc2cc(Cl)cc(c2)c3[nH]ccn3 | | ACDLabs 14.52 | O=C(O)c1ncccc1C(=O)N(C)C(C)C(=O)Nc1cc(Cl)cc(c1)c1ncc[NH]1 |
|
| Name: | 3-{[(2S)-1-{[(5P)-3-chloro-5-(1H-imidazol-2-yl)phenyl]amino}-1-oxopropan-2-yl](methyl)carbamoyl}pyridine-2-carboxylic acid |
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