(S)-N-Fmoc-4-bromophenylalanine

C₂₄H₂₀BrNO₄CAS 198561-04-5466.33 g/mol

Open in Covalent MOL file

Aryl halide Carbamate Carboxylic acid

Properties

Molecular formula: C₂₄H₂₀BrNO₄
Molar mass: 466.33 g/mol
Exact mass: 465.0576 Da
logP: 4.98Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

198561-04-5

SMILES

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

InChIKey

TVBAVBWXRDHONF-QFIPXVFZSA-N

InChI

InChI=1S/C24H20BrNO4/c25-16-11-9-15(10-12-16)13-22(23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Fmoc-L-4-bromophenylalanine

Work with (S)-N-Fmoc-4-bromophenylalanine

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-tyr-oh112883-29-184 % similar Fmoc-L-4,4'-biphenylalanine199110-64-079 % similar Fmoc-D-4-chlorophe142994-19-277 % similar Fmoc-L-4-fluorophe169243-86-177 % similar (S)-N-Fmoc-4-chlorophenylalanine175453-08-477 % similar Fmoc-L-4-methylphe199006-54-777 % similar Fmoc-D-4-methylphe204260-38-877 % similar Fmoc-tyr-tyr-oh1269665-49-776 % similar

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

Same formula

Fmoc-L-2-bromophenylalanine220497-47-2 3-Bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanine220497-48-3 Fmoc-(S)-3-amino-3-(4-bromo-phenyl)-propionic acid220497-68-7 Fmoc-D-2-bromophenylalanine220497-79-0 (R)-N-Fmoc-3-bromophenylalanine220497-81-4 (βR)-4-Bromo-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenepropanoic acid220498-04-4

Elsewhere

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