E95
Summary
| Name: | 7-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 |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-3-(7-methyl-1~{H}-indol-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H14N2O2/c1-7-3-2-4-9-8(6-14-11(7)9)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | KBOZNJNHBBROHM-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc2c(C[C@H](N)C(O)=O)c[nH]c12 |
| SMILES | CACTVS | 3.385 | Cc1cccc2c(C[CH](N)C(O)=O)c[nH]c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cccc2c1[nH]cc2C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cccc2c1[nH]cc2CC(C(=O)O)N |
