A1ILS
Summary
| Name: | (2~{R})-2-azanyl-3-[[4-(2-ethylphenyl)-2,3-dihydro-1~{H}-indol-2-yl]carbonylamino]propanoic acid |
| Formula: | C20 H23 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 353.415 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-azanyl-3-[[4-(2-ethylphenyl)-2,3-dihydro-1~{H}-indol-2-yl]carbonylamino]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H23N3O3/c1-2-12-6-3-4-7-13(12)14-8-5-9-17-15(14)10-18(23-17)19(24)22-11-16(21)20(25)26/h3-9,16,18,23H,2,10-11,21H2,1H3,(H,22,24)(H,25,26)/t16-,18?/m1/s1 |
| InChIKey | InChI | 1.06 | NJILSLRVWSRFNN-PYUWXLGESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1ccccc1c2cccc3N[C@@H](Cc23)C(=O)NC[C@@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CCc1ccccc1c2cccc3N[CH](Cc23)C(=O)NC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1ccccc1c2cccc3c2CC(N3)C(=O)NC[C@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1ccccc1c2cccc3c2CC(N3)C(=O)NCC(C(=O)O)N |
