PDB CCD ID: | SZF |
Number of entries in BioLiP: | 0 |
Chemical formula: | C13 H16 N2 O3 |
InChI: | 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: | WVNHXKXDYLJPPY-NSHDSACASA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.385 | CN[CH](Cc1cn(OC)c2ccccc12)C(O)=O | OpenEye OEToolkits 2.0.7 | CN[C@@H](Cc1cn(c2c1cccc2)OC)C(=O)O | OpenEye OEToolkits 2.0.7 | CNC(Cc1cn(c2c1cccc2)OC)C(=O)O | CACTVS 3.385 | CN[C@@H](Cc1cn(OC)c2ccccc12)C(O)=O | ACDLabs 12.01 | O=C(O)C(NC)Cc1cn(OC)c2ccccc21 |
|
Name: | 1-methoxy-N-methyl-L-tryptophan |