chempirical

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-fluoro-L-phenylalanine

C24H20FNO4CAS 205526-26-7405.43 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
Sin SMILES atom order

Identifiers

CAS number
205526-26-7
SMILES
O=C(O)[C@H](Cc1ccccc1F)N=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
ARHOAMSIDCQWEW-QFIPXVFZSA-N
InChI
InChI=1S/C24H20FNO4/c25-21-12-6-1-7-15(21)13-22(23(27)28)26-24(29)30-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20,22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1

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Names and synonyms

2 names
  • L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-fluoro-
  • (2S)-2-([[(9H-Fluoren-9-yl)methoxy]carbonyl]amino)-3-(2-fluorophenyl)propanoic acid

Work with N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-fluoro-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

(αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-1-naphthalenepropanoic acid138774-93-375 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-methyl-D-phenylalanine352351-63-475 % similar (αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-1-naphthalenepropanoic acid96402-49-275 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3,4-difluoro-L-phenylalanine198560-43-974 % similar Fmoc-L-phenylalanine35661-40-672 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3,5-difluoro-D-phenylalanine205526-25-670 % similar (βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-fluorobenzenebutanoic acid270596-49-169 % similar (2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4,4-difluorobutanoic acid467442-21-367 % similar

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

Same formula

Fmoc-L-4-fluorophe169243-86-1 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-fluoro-D-phenylalanine177966-64-2 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-fluoro-D-phenylalanine198545-72-1

Elsewhere

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