Fmoc-L-3-trifluoromethylphenylalanine

C25H20F3NO4CAS 205526-27-8455.43 g/mol

Open in Covalent MOL file
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Alkyl halideCarbamateCarboxylic 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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-(trifluoromethyl)-D-phenylalanine205526-28-9Enantiomer

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-phe-oh286460-71-773 % similar Fmoc-D-phenylalanine86123-10-673 % similar (R)-N-Fmoc-3-bromophenylalanine220497-81-472 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(m-tolyl)propanoic acid352351-64-572 % similar Fmoc-L-3-cyanophenylalanine205526-36-969 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-D-4-trifluoromethylphe238742-88-6 Fmoc-phe(4-CF3)-OH247113-86-6 (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-(trifluoromethyl)phenyl)propanoic acid352523-15-0 (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-(trifluoromethyl)phenyl)propanoic acid352523-16-1

Elsewhere

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