alpha-N-Carbomethoxyacetyl-4-chloro-D-tryptophan
PubChem CID: 154326943
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | alpha-N-Carbomethoxyacetyl-4-chloro-D-tryptophan |
|---|---|
| Topological Polar Surface Area | 108.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | ITVFBZXHWIFZDX-LLVKDONJSA-N |
| Rotatable Bond Count | 7.0 |
| Synonyms | alpha-N-Carbomethoxyacetyl-4-chloro-D-tryptophan |
| Heavy Atom Count | 23.0 |
| Compound Name | alpha-N-Carbomethoxyacetyl-4-chloro-D-tryptophan |
| Description | Alpha-n-carbomethoxyacetyl-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-carbomethoxyacetyl-4-chloro-d-tryptophan is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Alpha-n-carbomethoxyacetyl-4-chloro-d-tryptophan can be found in common pea, which makes alpha-n-carbomethoxyacetyl-4-chloro-d-tryptophan a potential biomarker for the consumption of this food product. |
| Exact Mass | 338.067 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.067 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 473.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 338.74 |
| 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-methoxy-3-oxopropanoyl)amino]propanoic acid |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C15H15ClN2O5/c1-23-13(20)6-12(19)18-11(15(21)22)5-8-7-17-10-4-2-3-9(16)14(8)10/h2-4,7,11,17H,5-6H2,1H3,(H,18,19)(H,21,22)/t11-/m1/s1 |
| Smiles | COC(=O)CC(=O)N[C@H](CC1=CNC2=C1C(=CC=C2)Cl)C(=O)O |
| Xlogp | 1.9 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H15ClN2O5 |
- 1. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all