0UO
Summary
Name: | 4-methoxy-L-tryptophan |
Formula: | C12 H14 N2 O3 |
Formal charge: | 0 |
Formula weight: | 234.251 Da |
Component type: | peptide-like |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 4-methoxy-L-tryptophan |
OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-3-(4-methoxy-1H-indol-3-yl)propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(N)Cc2c1c(cccc1OC)nc2 |
InChI | InChI | 1.03 | InChI=1S/C12H14N2O3/c1-17-10-4-2-3-9-11(10)7(6-14-9)5-8(13)12(15)16/h2-4,6,8,14H,5,13H2,1H3,(H,15,16)/t8-/m0/s1 |
InChIKey | InChI | 1.03 | VYXPKRIKQJEAOO-QMMMGPOBSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cccc2[nH]cc(C[C@H](N)C(O)=O)c12 |
SMILES | CACTVS | 3.370 | COc1cccc2[nH]cc(C[CH](N)C(O)=O)c12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cccc2c1c(c[nH]2)C[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1cccc2c1c(c[nH]2)CC(C(=O)O)N |