Fmoc-L-3,4,5-trifluorophenylalanine

C₂₄H₁₈F₃NO₄CAS 205526-30-3441.41 g/mol

Open in Covalent MOL file

Aryl halide Carbamate Carboxylic acid

Properties

Molecular formula: C₂₄H₁₈F₃NO₄
Molar mass: 441.41 g/mol
Exact mass: 441.1188 Da
logP: 4.64Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

205526-30-3

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC(=C(C(=C4)F)F)F)C(=O)O

InChIKey

VNMUACAZWGQRRL-NRFANRHFSA-N

InChI

InChI=1S/C24H18F3NO4/c25-19-9-13(10-20(26)22(19)27)11-21(23(29)30)28-24(31)32-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,18,21H,11-12H2,(H,28,31)(H,29,30)/t21-/m0/s1

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Names and synonyms

1 names

3,4,5-Trifluoro-L-phenylalanine, N-FMOC protected

Work with Fmoc-L-3,4,5-trifluorophenylalanine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Fmoc-D-3,4-difluorophe198545-59-482 % similar Fmoc-phe(3,5-F2)-OH205526-24-578 % similar Fmoc-D-pentafluorophenylalanine198545-85-675 % similar Fmoc-pentafluoro-L-phenylalanine205526-32-575 % similar Fmoc-L-3-fluorophe198560-68-874 % similar Fmoc-L-4-fluorophe169243-86-173 % similar Fmoc-D-tyr-oh112883-29-173 % similar Fmoc-2-nal-oh112883-43-969 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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