A1LWG
Summary
| Name: | (2~{R})-2-[2-(1~{H}-indol-3-yl)ethylamino]propanoic acid |
| Formula: | C13 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 232.278 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-[2-(1~{H}-indol-3-yl)ethylamino]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H16N2O2/c1-9(13(16)17)14-7-6-10-8-15-12-5-3-2-4-11(10)12/h2-5,8-9,14-15H,6-7H2,1H3,(H,16,17) |
| InChIKey | InChI | 1.06 | BGXZBALMOFWVRC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](NCCc1c[nH]c2ccccc12)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](NCCc1c[nH]c2ccccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](C(=O)O)NCCc1c[nH]c2c1cccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)O)NCCc1c[nH]c2c1cccc2 |
