chempirical

3-Bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanine

C24H20BrNO4CAS 220497-48-3466.33 g/mol

Open in Covalent MOL file
OOHBrNHOO
Aryl halideCarboxylic acid

Properties

Molecular formula
C24H20BrNO4
Molar mass
466.33 g/mol
Exact mass
465.0576 Da
logP
5.19Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
220497-48-3
SMILES
O=C(O)[C@H](Cc1cccc(Br)c1)N=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
CALGTIKYXVBTAO-QFIPXVFZSA-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-/m0/s1

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Names and synonyms

2 names
  • L-Phenylalanine, 3-bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
  • (s)-n-Fmoc-3-bromophenyLalanine

Work with 3-Bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-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-phenylalanine35661-40-677 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-fluoro-D-phenylalanine198545-72-177 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-methyl-L-phenylalanine211637-74-076 % similar 3,4-Dichloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine177966-58-474 % similar 3,4-Dichloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanine177966-59-574 % similar 3-Cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine205526-37-073 % similar 3-Chloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-tyrosine478183-58-373 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-(trifluoromethyl)-D-phenylalanine205526-28-972 % similar

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

Same formula

(βR)-4-Bromo-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenepropanoic acid220498-04-4

Elsewhere

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