LB6
Summary
| Name: | N-[(6-bromo-1H-indol-1-yl)acetyl]glycine |
| Formula: | C12 H11 Br N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 311.131 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(6-bromo-1H-indol-1-yl)acetyl]glycine |
| OpenEye OEToolkits | 2.0.7 | 2-[2-(6-bromanylindol-1-yl)ethanoylamino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CNC(=O)Cn1ccc2ccc(Br)cc21 |
| InChI | InChI | 1.03 | InChI=1S/C12H11BrN2O3/c13-9-2-1-8-3-4-15(10(8)5-9)7-11(16)14-6-12(17)18/h1-5H,6-7H2,(H,14,16)(H,17,18) |
| InChIKey | InChI | 1.03 | CWLHYPMSORHOPU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CNC(=O)Cn1ccc2ccc(Br)cc12 |
| SMILES | CACTVS | 3.385 | OC(=O)CNC(=O)Cn1ccc2ccc(Br)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc2c1ccn2CC(=O)NCC(=O)O)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc2c1ccn2CC(=O)NCC(=O)O)Br |
