OZ5
Summary
| Name: | (2~{R})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid |
| Formula: | C26 H21 F N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 440.469 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C26H21FN4O2/c1-3-21(26(32)33)30-25-19-11-12-29-14-22(19)31-24(20(25)13-28)17-9-7-16(8-10-17)18-6-4-5-15(2)23(18)27/h4-12,14,21H,3H2,1-2H3,(H,30,31)(H,32,33)/t21-/m1/s1 |
| InChIKey | InChI | 1.03 | DVIVLYHDLNAXAT-OAQYLSRUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](Nc1c2ccncc2nc(c3ccc(cc3)c4cccc(C)c4F)c1C#N)C(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH](Nc1c2ccncc2nc(c3ccc(cc3)c4cccc(C)c4F)c1C#N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@H](C(=O)O)Nc1c2ccncc2nc(c1C#N)c3ccc(cc3)c4cccc(c4F)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(C(=O)O)Nc1c2ccncc2nc(c1C#N)c3ccc(cc3)c4cccc(c4F)C |
