OYZ
Summary
| Name: | (2~{R})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid |
| Formula: | C26 H24 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 440.494 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C26H24N4O3/c1-3-33-23-7-5-4-6-19(23)17-8-10-18(11-9-17)24-21(14-27)25(29-16(2)26(31)32)20-12-13-28-15-22(20)30-24/h4-11,13,16H,3,12,15H2,1-2H3,(H,29,30)(H,31,32)/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | NURQHDXPRQBOKW-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccccc1c2ccc(cc2)c3nc4CN=CCc4c(N[C@H](C)C(O)=O)c3C#N |
| SMILES | CACTVS | 3.385 | CCOc1ccccc1c2ccc(cc2)c3nc4CN=CCc4c(N[CH](C)C(O)=O)c3C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1ccccc1c2ccc(cc2)c3c(c(c4c(n3)CN=CC4)N[C@H](C)C(=O)O)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1ccccc1c2ccc(cc2)c3c(c(c4c(n3)CN=CC4)NC(C)C(=O)O)C#N |
