Fmoc-L-3-trifluoromethylphenylalanine

C₂₅H₂₀F₃NO₄CAS 205526-27-8455.43 g/mol

Open in Covalent MOL file

Alkyl halide Carbamate Carboxylic acid

Properties

Molecular formula: C₂₅H₂₀F₃NO₄
Molar mass: 455.43 g/mol
Exact mass: 455.1344 Da
logP: 5.24Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

205526-27-8

SMILES

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

InChIKey

AJMRBDCOLBEYRZ-QFIPXVFZSA-N

InChI

InChI=1S/C25H20F3NO4/c26-25(27,28)16-7-5-6-15(12-16)13-22(23(30)31)29-24(32)33-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H,29,32)(H,30,31)/t22-/m0/s1

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Names and synonyms

1 names

Fmoc-L-3-trifluoromethylphe

Work with Fmoc-L-3-trifluoromethylphenylalanine

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-L-3-fluorophe198560-68-876 % similar Fmoc-3-chloro-L-phenylalanine198560-44-073 % similar Fmoc-3-chloro-D-phenylalanine205526-23-473 % similar Fmoc-L-3-cyanophenylalanine205526-36-969 % similar Fmoc-D-3,4-difluorophe198545-59-469 % similar Fmoc-2-nal-oh112883-43-968 % similar Fmoc-3-(2-naphthyl)-D-alanine138774-94-468 % similar Fmoc-phe(3,5-F2)-OH205526-24-568 % similar

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

Same formula

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-(trifluoromethyl)-D-phenylalanine205526-28-9 Fmoc-D-4-trifluoromethylphe238742-88-6

Elsewhere

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