D8L
Summary
| Name: | (2R)-3-(1H-indol-3-yl)-2-methylsulfanyl-propanoic acid |
| Formula: | C12 H13 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 235.302 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-3-(1~{H}-indol-3-yl)-2-methylsulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H13NO2S/c1-16-11(12(14)15)6-8-7-13-10-5-3-2-4-9(8)10/h2-5,7,11,13H,6H2,1H3,(H,14,15)/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | ZGMAESWNIVTLJE-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CS[C@H](Cc1c[nH]c2ccccc12)C(O)=O |
| SMILES | CACTVS | 3.385 | CS[CH](Cc1c[nH]c2ccccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS[C@H](Cc1c[nH]c2c1cccc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CSC(Cc1c[nH]c2c1cccc2)C(=O)O |
