EXL
Summary
| Name: | 1-Methyl-L-tryptophan |
| Synonyms: | (2S)-2-azanyl-3-(1-methylindol-3-yl)propanoic acid |
| Formula: | C12 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 218.252 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-(1-methylindol-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | ZADWXFSZEAPBJS-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(C[C@H](N)C(O)=O)c2ccccc12 |
| SMILES | CACTVS | 3.385 | Cn1cc(C[CH](N)C(O)=O)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(c2c1cccc2)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(c2c1cccc2)CC(C(=O)O)N |
