Fmoc-(R)-3-amino-4-(2-trifluoromethyl-phenyl)-butyric acid

C₂₆H₂₂F₃NO₄CAS 269726-72-9469.46 g/mol

Open in Covalent MOL file

Alkyl halide Carbamate Carboxylic acid

Properties

Molecular formula: C₂₆H₂₂F₃NO₄
Molar mass: 469.46 g/mol
Exact mass: 469.1501 Da
logP: 5.63Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 7
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

269726-72-9

SMILES

C1=CC=C(C(=C1)C[C@H](CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(F)(F)F

InChIKey

AMHLUOQJPWBMSQ-QGZVFWFLSA-N

InChI

InChI=1S/C26H22F3NO4/c27-26(28,29)23-12-6-1-7-16(23)13-17(14-24(31)32)30-25(33)34-15-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h1-12,17,22H,13-15H2,(H,30,33)(H,31,32)/t17-/m1/s1

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Names and synonyms

1 names

(R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(2-(trifluoromethyl)phenyl)butanoic acid

Work with Fmoc-(R)-3-amino-4-(2-trifluoromethyl-phenyl)-butyric acid

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.

(βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-(trifluoromethyl)benzenebutanoic acid270065-75-3Enantiomer

Similar compounds

Fmoc-(R)-3-amino-4-(2-chloro-phenyl)-butyric acid268734-29-872 % similar Fmoc-(R)-3-amino-4-(2-methyl-phenyl)-butyric acid269398-81-471 % similar Fmoc-(R)-3-amino-4-(1-naphthyl)-butyric acid269398-89-271 % similar Fmoc-(S)-3-amino-4-(1-naphthyl)-butyric acid270063-38-271 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-(trifluoromethyl)phenyl)propanoic acid352523-15-070 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-(trifluoromethyl)phenyl)propanoic acid352523-16-170 % similar Fmoc-L-beta-homophenylalanine193954-28-870 % similar Boc-(S)-3-amino-4-(2-trifluoromethyl-phenyl)-butyric acid270065-74-269 % similar

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

Same formula

(βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-3-(trifluoromethyl)benzenebutanoic acid269726-75-2 (βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-3-(trifluoromethyl)benzenebutanoic acid270065-78-6

Elsewhere

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