A1JL7
Summary
| Name: | 3-[[4-cyclobutyl-6-(3,4-dihydro-2~{H}-quinolin-1-yl)pyrimidin-2-yl]amino]propanoic acid |
| Formula: | C20 H24 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 352.43 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[[4-cyclobutyl-6-(3,4-dihydro-2~{H}-quinolin-1-yl)pyrimidin-2-yl]amino]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H24N4O2/c25-19(26)10-11-21-20-22-16(14-6-3-7-14)13-18(23-20)24-12-4-8-15-5-1-2-9-17(15)24/h1-2,5,9,13-14H,3-4,6-8,10-12H2,(H,25,26)(H,21,22,23) |
| InChIKey | InChI | 1.06 | PUOUMWUWJBCLCR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCNc1nc(cc(n1)N2CCCc3ccccc23)C4CCC4 |
| SMILES | CACTVS | 3.385 | OC(=O)CCNc1nc(cc(n1)N2CCCc3ccccc23)C4CCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CCCN2c3cc(nc(n3)NCCC(=O)O)C4CCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CCCN2c3cc(nc(n3)NCCC(=O)O)C4CCC4 |
