Fmoc-3-chloro-D-phenylalanine

C₂₄H₂₀ClNO₄CAS 205526-23-4421.88 g/mol

Open in Covalent MOL file

Aryl halide Carbamate Carboxylic acid

Properties

Molecular formula: C₂₄H₂₀ClNO₄
Molar mass: 421.88 g/mol
Exact mass: 421.1081 Da
logP: 4.87Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

205526-23-4

SMILES

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

InChIKey

UOZAKKJRIKXQPY-JOCHJYFZSA-N

InChI

InChI=1S/C24H20ClNO4/c25-16-7-5-6-15(12-16)13-22(23(27)28)26-24(29)30-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m1/s1

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Work with Fmoc-3-chloro-D-phenylalanine

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-fluorophe198560-68-878 % similar Fmoc-L-3-cyanophenylalanine205526-36-974 % similar Fmoc-2-nal-oh112883-43-973 % similar Fmoc-3-(2-naphthyl)-D-alanine138774-94-473 % similar Fmoc-L-3-trifluoromethylphenylalanine205526-27-873 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(3-(allyloxy)phenyl)propanoic acid1217835-37-471 % similar Fmoc-D-tyr-oh112883-29-171 % similar Fmoc-D-3,4-difluorophe198545-59-471 % similar

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

Same formula

Fmoc-D-4-chlorophe142994-19-2 (S)-N-Fmoc-4-chlorophenylalanine175453-08-4 Fmoc-L-2-chlorophe198560-41-7 Fmoc-3-chloro-L-phenylalanine198560-44-0 Fmoc-2-chloro-D-phenylalanine205526-22-3

Elsewhere

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