TR7
Summary
| Name: | methyl L-tryptophanate |
| Formula: | C12 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 218.252 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl L-tryptophanate |
| OpenEye OEToolkits | 1.9.2 | methyl (2S)-2-azanyl-3-(1H-indol-3-yl)propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC)C(N)Cc2c1ccccc1nc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H14N2O2/c1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11/h2-5,7,10,14H,6,13H2,1H3/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | KCUNTYMNJVXYKZ-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 |
| SMILES | CACTVS | 3.385 | COC(=O)[CH](N)Cc1c[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COC(=O)[C@H](Cc1c[nH]c2c1cccc2)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | COC(=O)C(Cc1c[nH]c2c1cccc2)N |
