2S2
Summary
| Name: | (2S)-2-(1H-indol-3-yl)hexanoic acid |
| Formula: | C14 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 231.29 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-(1H-indol-3-yl)hexanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-(1H-indol-3-yl)hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(c2c1ccccc1nc2)CCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCC[C@H](C(O)=O)c1c[nH]c2ccccc12 |
| SMILES | CACTVS | 3.341 | CCCC[CH](C(O)=O)c1c[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCC[C@@H](c1c[nH]c2c1cccc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCC(c1c[nH]c2c1cccc2)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H17NO2/c1-2-3-6-11(14(16)17)12-9-15-13-8-5-4-7-10(12)13/h4-5,7-9,11,15H,2-3,6H2,1H3,(H,16,17)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | RCBHCHBXRBYJGU-NSHDSACASA-N |
