3IL
Summary
| Name: | 3-(INDOL-3-YL) LACTATE |
| Synonyms: | (2S)-2-HYDROXY-3-(1H-INDOL-3-YL)PROPANOIC ACID |
| Formula: | C11 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 205.21 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(O)Cc2c1ccccc1nc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |
| SMILES | CACTVS | 3.341 | O[CH](Cc1c[nH]c2ccccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | XGILAAMKEQUXLS-JTQLQIEISA-N |
