D0Q
Summary
Name: | 5-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-(5-methyl-1~{H}-indol-3-yl)propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C12H14N2O2/c1-7-2-3-11-9(4-7)8(6-14-11)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m0/s1 |
InChIKey | InChI | 1.03 | HUNCSWANZMJLPM-JTQLQIEISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2[nH]cc(C[C@H](N)C(O)=O)c2c1 |
SMILES | CACTVS | 3.385 | Cc1ccc2[nH]cc(C[CH](N)C(O)=O)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N |