| PDB CCD ID: | 5ZF |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C29 H26 Cl N3 O2 |
| InChI: | InChI=1S/C29H26ClN3O2/c1-21(22-9-4-2-5-10-22)32-29(35)28(25-13-8-18-31-20-25)33(27(34)19-30)26-16-14-24(15-17-26)23-11-6-3-7-12-23/h2-18,20-21,28H,19H2,1H3,(H,32,35)/t21-,28+/m0/s1 |
| InChIKey: | XQECDPKLDAEYEC-RBTNQOKQSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | CC(NC(=O)C(N(C(=O)CCl)c1ccc(cc1)c1ccccc1)c1cccnc1)c1ccccc1 | | OpenEye OEToolkits 2.0.7 | CC(c1ccccc1)NC(=O)C(c2cccnc2)N(c3ccc(cc3)c4ccccc4)C(=O)CCl | | CACTVS 3.385 | C[CH](NC(=O)[CH](N(C(=O)CCl)c1ccc(cc1)c2ccccc2)c3cccnc3)c4ccccc4 | | CACTVS 3.385 | C[C@H](NC(=O)[C@H](N(C(=O)CCl)c1ccc(cc1)c2ccccc2)c3cccnc3)c4ccccc4 | | OpenEye OEToolkits 2.0.7 | C[C@@H](c1ccccc1)NC(=O)[C@@H](c2cccnc2)N(c3ccc(cc3)c4ccccc4)C(=O)CCl |
|
| Name: | N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide |
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