SR9
Summary
| Name: | (2~{S})-4-methyl-2-[(1-quinolin-8-ylsulfonylindol-3-yl)carbonylamino]pentanoic acid |
| Formula: | C24 H23 N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 465.522 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-4-methyl-2-[(1-quinolin-8-ylsulfonylindol-3-yl)carbonylamino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H23N3O5S/c1-15(2)13-19(24(29)30)26-23(28)18-14-27(20-10-4-3-9-17(18)20)33(31,32)21-11-5-7-16-8-6-12-25-22(16)21/h3-12,14-15,19H,13H2,1-2H3,(H,26,28)(H,29,30)/t19-/m0/s1 |
| InChIKey | InChI | 1.03 | UURBOBOYEORQRN-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](NC(=O)c1cn(c2ccccc12)[S](=O)(=O)c3cccc4cccnc34)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](NC(=O)c1cn(c2ccccc12)[S](=O)(=O)c3cccc4cccnc34)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@@H](C(=O)O)NC(=O)c1cn(c2c1cccc2)S(=O)(=O)c3cccc4c3nccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(C(=O)O)NC(=O)c1cn(c2c1cccc2)S(=O)(=O)c3cccc4c3nccc4 |
