alpha-N-Carboethoxyacetyl-4-chloro-D-tryptophan
PubChem CID: 154350626
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| Compound Synonyms | alpha-N-Carboethoxyacetyl-4-chloro-D-tryptophan |
|---|---|
| Topological Polar Surface Area | 108.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | DWVLUSJVGYOTDB-GFCCVEGCSA-N |
| Rotatable Bond Count | 8.0 |
| Synonyms | alpha-N-Carboethoxyacetyl-4-chloro-D-tryptophan, alpha-N-Carboethoxyacetyl-D-4-chlorotryptophan |
| Heavy Atom Count | 24.0 |
| Compound Name | alpha-N-Carboethoxyacetyl-4-chloro-D-tryptophan |
| Description | Alpha-n-carboethoxyacetyl-4-chloro-d-tryptophan is a member of the class of compounds known as N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Alpha-n-carboethoxyacetyl-4-chloro-d-tryptophan is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Alpha-n-carboethoxyacetyl-4-chloro-d-tryptophan can be found in common pea, which makes alpha-n-carboethoxyacetyl-4-chloro-d-tryptophan a potential biomarker for the consumption of this food product. |
| Exact Mass | 352.083 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.083 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 487.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 352.77 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-3-(4-chloro-1H-indol-3-yl)-2-[(3-ethoxy-3-oxopropanoyl)amino]propanoic acid |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C16H17ClN2O5/c1-2-24-14(21)7-13(20)19-12(16(22)23)6-9-8-18-11-5-3-4-10(17)15(9)11/h3-5,8,12,18H,2,6-7H2,1H3,(H,19,20)(H,22,23)/t12-/m1/s1 |
| Smiles | CCOC(=O)CC(=O)N[C@H](CC1=CNC2=C1C(=CC=C2)Cl)C(=O)O |
| Xlogp | 2.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C16H17ClN2O5 |
- 1. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all