(R)-N-Fmoc-3-bromophenylalanine

C24H20BrNO4CAS 220497-81-4466.33 g/mol

Open in Covalent MOL file
OONHBrOHO
Aryl halideCarbamateCarboxylic 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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Rin 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
220497-81-4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=CC(=CC=C4)Br)C(=O)O
InChIKey
CALGTIKYXVBTAO-JOCHJYFZSA-N
InChI
InChI=1S/C24H20BrNO4/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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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Fmoc-3-bromo-D-phenylalanine

Work with (R)-N-Fmoc-3-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

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.

3-Bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanine220497-48-3Enantiomer

Similar compounds

Fmoc-phe-oh286460-71-777 % similar Fmoc-D-phenylalanine86123-10-677 % similar Fmoc-3-chloro-L-phenylalanine198560-44-077 % similar Fmoc-L-3-fluorophe198560-68-877 % similar Fmoc-3-chloro-D-phenylalanine205526-23-477 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(m-tolyl)propanoic acid352351-64-575 % similar Fmoc-L-3-cyanophenylalanine205526-36-973 % similar Fmoc-2-nal-oh112883-43-972 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-N-Fmoc-4-bromophenylalanine198561-04-5 Fmoc-L-2-bromophenylalanine220497-47-2 Fmoc-(S)-3-amino-3-(4-bromo-phenyl)-propionic acid220497-68-7 Fmoc-D-2-bromophenylalanine220497-79-0 (βR)-4-Bromo-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenepropanoic acid220498-04-4

Elsewhere

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