chempirical

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-fluoro-D-phenylalanine

C24H20FNO4CAS 177966-64-2405.43 g/mol

Open in Covalent MOL file
OOHFNHOO
Aryl halideCarboxylic acid

Properties

Molecular formula
C24H20FNO4
Molar mass
405.43 g/mol
Exact mass
405.1376 Da
logP
4.56Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
177966-64-2
SMILES
O=C(O)[C@@H](Cc1ccc(F)cc1)N=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
IXUMACXMEZBPJG-JOCHJYFZSA-N
InChI
InChI=1S/C24H20FNO4/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-/m1/s1

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Names and synonyms

5 names
  • D-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-fluoro-
  • 1013: PN: WO2006135786 PAGE: 72 claimed sequence
  • 321: PN: US20070042401 PAGE: 39 claimed sequence
  • D-Fmoc-4-fluorophenylalanine
  • (2R)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)propanoic acid

Work with N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-fluoro-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

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3,5-difluoro-D-phenylalanine205526-25-683 % similar Fmoc-L-phenylalanine35661-40-682 % similar (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino][1,1′-biphenyl]-4-propanoic acid205526-38-179 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-iodo-D-phenylalanine205526-29-078 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3,4-difluoro-L-phenylalanine198560-43-977 % similar 4-Cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine205526-34-776 % similar 4-Benzoyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine117666-97-475 % similar O-Ethyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-tyrosine162502-65-072 % similar

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

Same formula

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-fluoro-D-phenylalanine198545-72-1 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-fluoro-L-phenylalanine205526-26-7

Elsewhere

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