E9M
Summary
| Name: | N-methyl-L-tryptophan |
| Formula: | C12 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 218.252 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-methyl-L-tryptophan |
| OpenEye OEToolkits | 1.7.6 | (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C)C(Cc1cnc2c1cccc2)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | CZCIKBSVHDNIDH-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |
| SMILES | CACTVS | 3.385 | CN[CH](Cc1c[nH]c2ccccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNC(Cc1c[nH]c2c1cccc2)C(=O)O |
