SZF
Summary
| Name: | 1-methoxy-N-methyl-L-tryptophan |
| Formula: | C13 H16 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 248.278 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-methoxy-N-methyl-L-tryptophan |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-3-(1-methoxyindol-3-yl)-2-(methylamino)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(NC)Cc1cn(OC)c2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C13H16N2O3/c1-14-11(13(16)17)7-9-8-15(18-2)12-6-4-3-5-10(9)12/h3-6,8,11,14H,7H2,1-2H3,(H,16,17)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | WVNHXKXDYLJPPY-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@@H](Cc1cn(OC)c2ccccc12)C(O)=O |
| SMILES | CACTVS | 3.385 | CN[CH](Cc1cn(OC)c2ccccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN[C@@H](Cc1cn(c2c1cccc2)OC)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(Cc1cn(c2c1cccc2)OC)C(=O)O |
