A1JVL
Summary
| Name: | (3~{R},4~{R})-1-[3-cyano-6-(cyclopropylamino)pyridin-2-yl]-4-propan-2-yl-pyrrolidine-3-carboxylic acid |
| Formula: | C17 H22 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 314.382 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R},4~{R})-1-[3-cyano-6-(cyclopropylamino)pyridin-2-yl]-4-propan-2-yl-pyrrolidine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H22N4O2/c1-10(2)13-8-21(9-14(13)17(22)23)16-11(7-18)3-6-15(20-16)19-12-4-5-12/h3,6,10,12-14H,4-5,8-9H2,1-2H3,(H,19,20)(H,22,23)/t13-,14+/m1/s1 |
| InChIKey | InChI | 1.06 | FQNQKYOAHINTQZ-KGLIPLIRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H]1CN(C[C@@H]1C(O)=O)c2nc(NC3CC3)ccc2C#N |
| SMILES | CACTVS | 3.385 | CC(C)[CH]1CN(C[CH]1C(O)=O)c2nc(NC3CC3)ccc2C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)[C@H]1CN(C[C@@H]1C(=O)O)c2c(ccc(n2)NC3CC3)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C1CN(CC1C(=O)O)c2c(ccc(n2)NC3CC3)C#N |
