N-(Trifluoroacetyl)-L-tryptophan - CAS 363-39-3
Catalog: |
BB057253 |
Product Name: |
N-(Trifluoroacetyl)-L-tryptophan |
CAS: |
363-39-3 |
Synonyms: |
N-Trifluoroacetyltryptophan; N-(2,2,2-Trifluoroacetyl)-L-tryptophan |
IUPAC Name: | (2S)-3-(1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid |
Description: | N-(Trifluoroacetyl)-L-tryptophan is an intermediate in the synthesis of tryptophan-containing peptides. |
Molecular Weight: | 300.23 |
Molecular Formula: | C13H11F3N2O3 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C(F)(F)F |
InChI: | InChI=1S/C13H11F3N2O3/c14-13(15,16)12(21)18-10(11(19)20)5-7-6-17-9-4-2-1-3-8(7)9/h1-4,6,10,17H,5H2,(H,18,21)(H,19,20)/t10-/m0/s1 |
InChI Key: | PCGKHZTZDMCZNE-JTQLQIEISA-N |
Solubility: | Acetonitrile, Methanol |
Appearance: | Pink Beige Solid |
References: | REay, A, J., et al. Org. Biomolec. Chem., 13, 8298 (2015). |
Complexity: | 414 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 300.0721767 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 300.0721767 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 82.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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