Tryptophan; (S)-form, Nα,Nα-Di-Me, Me ester
AlkaPlorer ID: AK267613
Synonym: None
IUPAC Name: methyl 2-(dimethylamino)-3-(1H-indol-3-yl)propanoate
Structure
SMILES: COC(=O)C(CC1=CNC2=CC=CC=C12)N(C)C
InChI: InChI=1S/C14H18N2O2/c1-16(2)13(14(17)18-3)8-10-9-15-12-7-5-4-6-11(10)12/h4-7,9,13,15H,8H2,1-3H3
InChIKey: QFHMLRWKLHONAO-UHFFFAOYSA-N
Reference
Alkaloids of Desmodium triflorum
PubChem CID: 289078
CAS: 136567-42-5
LOTUS: LTS0227708
COCONUT: CNP0159986
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erythrina variegata | Erythrina | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Abrus precatorius | Abrus | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 246.31
TPSA？: 45.330000000000005
MolLogP？: 1.8136
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | GABA-A receptor; anion channel | Ki | 100000.0 | nM | 10.1021/jm00351a015 |